PhytoHub: Showing entry for Demethoxycurcumin

Demethoxycurcumin

Identification

PhytoHub ID

PHUB001674

Name

Demethoxycurcumin

Systematic Name

Demethoxycurcumin

Synonyms

Desmethoxycurcumin

CAS Number

Not Available

Average Mass

338.359

Monoisotopic Mass

338.11542368

Chemical Formula

C₂₀H₁₈O₅

IUPAC Name

(1E,6E)-1-(4-hydroxy-3-methoxyphenyl)-7-(4-hydroxyphenyl)hepta-1,6-diene-3,5-dione

InChI Key

HJTVQHVGMGKONQ-LUZURFALSA-N

InChI Identifier

InChI=1S/C20H18O5/c1-25-20-12-15(6-11-19(20)24)5-10-18(23)13-17(22)9-4-14-2-7-16(21)8-3-14/h2-12,21,24H,13H2,1H3/b9-4+,10-5+

SMILES

COC1=CC(\C=C\C(=O)CC(=O)\C=C\C2=CC=C(O)C=C2)=CC=C1O

Structure

Similar Structures

Calculated Properties

Solubility (ALOGPS): 6.73e-03 g/l
LogS (ALOGPS): -4.70
LogP (ALOGPS): 3.54
Hydrogen Acceptors: 5
Hydrogen Donors: 2
Rotatable Bond Count: 7
Polar Surface Area: 83.83
Refractivity: 97.34740000000002
Polarizability: 35.351903201231735
Formal Charge: 0
Physiological Charge: 0
pKa (strongest basic): -4.477476498942375
pKa (strongest acidic): 8.849461623816573
Number of Rings: 2
Rule of Five: Yes
Bioavailability: Yes
Ghose Filter: Yes
Veber's Rule: No
MDDR-like Rule: No

External Links

No external links

Taxonomy as Food Phytochemical

Family: Polyphenols
Class: Miscellaneous polyphenols
Sub-class: Not Available

Classyfire Taxonomy

Kingdom Name: Organic compounds
Class: Diarylheptanoids
Super-class: Phenylpropanoids and polyketides
Sub-class: Linear diarylheptanoids
Direct Parent Name: Curcuminoids
Alternative Parent Names: ["1-hydroxy-2-unsubstituted benzenoids", "Acryloyl compounds", "Alkyl aryl ethers", "Anisoles", "Beta-diketones", "Enones", "Hydrocarbon derivatives", "Hydroxycinnamic acids and derivatives", "Ketones", "Methoxybenzenes", "Methoxyphenols", "Organic oxides", "Phenoxy compounds", "Styrenes"]
External Descriptor Annotations: ["beta-diketone", "diarylheptanoid", "enone", "polyphenol"]
Substituent Names: ["1,3-dicarbonyl compound", "1,3-diketone", "1-hydroxy-2-unsubstituted benzenoid", "Acryloyl-group", "Alkyl aryl ether", "Alpha,beta-unsaturated ketone", "Anisole", "Aromatic homomonocyclic compound", "Benzenoid", "Carbonyl group", "Desmethoxycurcumin", "Enone", "Ether", "Hydrocarbon derivative", "Hydroxycinnamic acid or derivatives", "Ketone", "Methoxybenzene", "Methoxyphenol", "Monocyclic benzene moiety", "Organic oxide", "Organic oxygen compound", "Organooxygen compound", "Phenol", "Phenol ether", "Phenoxy compound", "Styrene"]

Spectra from Phytohub

Spectrum Type	Instrument Type	Ion Mode	Collision Energy Level	View	Peaks

Predicted GC-MS	GC-MS	Positive	Not Available	View Spectrum	(105.0334885,1.83881782);(106.0413131,1.379688035);(107.0491377,1.563035777);(117.0334885,0.9016884486);(118.0413131,1.16894354);(119.0491377,4.371368749);(120.0569623,1.792627899);(121.0647869,1.793285193);(135.0440518,1.576851981);(136.0518764,1.228081328);(137.059701,1.126557409);(146.0362272,0.8794419965);(147.0440518,10.11866808);(148.0474435,1.037620989);(148.0518764,1.621279665);(149.059701,3.39146946);(150.0675256,1.635768371);(151.0753502,1.054281329);(161.059701,1.073576215);(177.0546151,3.712547622);(189.0546151,1.313062948);(191.0702643,0.8419042532);(219.0651784,2.464844247);(307.0964768,0.7435318467);(308.1043014,0.9460537162);(309.112126,1.191395716);(310.1199506,0.7675245957);(320.1043014,1.093748084);(321.112126,1.917693169);(323.0913909,1.947481995);(338.1148647,1.381123737)
Predicted GC-MS	GC-MS	Positive	Not Available	View Spectrum	(71.03115062,0.8053522651);(73.04679982,3.754936539);(74.05462442,0.7509524672);(75.02606472,2.82901914);(75.06244902,0.7005874069);(89.04171392,1.695762062);(91.05736312,0.7939551947);(107.0491377,0.9035612207);(205.0679264,2.951587312);(208.0914002,0.9092678739);(209.0992248,0.695356171);(219.0835756,3.006184504);(220.0914002,1.663957535);(221.0992248,2.223183845);(222.1070494,0.7425417569);(233.0992248,1.686791806);(234.1070494,0.7916161133);(249.0941389,3.601240972);(250.0965768,0.7196370404);(261.0941389,1.068101354);(363.144226,0.6946498883);(392.1438252,0.8484587497);(393.1516498,1.297317722);(409.1465639,2.192903425);(410.1543885,1.856830449);(411.1622131,1.152548436);(465.1911736,0.7017585728);(466.1626139,1.015882632);(467.1704385,12.12806347);(468.1728437,4.701343133);(469.1716798,1.800169125)
Predicted GC-MS	GC-MS	Ei	Not Available	View Spectrum	(105.0334885,1.853300439);(106.0413131,1.384933409);(107.0491377,1.51887586);(117.0334885,0.905116537);(118.0413131,1.173387693);(119.0491377,4.387988057);(120.0569623,1.79944321);(121.0647869,1.880815211);(135.0440518,1.366035425);(136.0518764,1.232750314);(137.059701,1.130840416);(146.0362272,0.8827855071);(147.0440518,10.21448248);(148.0474435,1.047446296);(148.0518764,1.627443535);(149.059701,3.82372722);(150.0675256,1.641987325);(151.0753502,1.058289553);(161.059701,1.077657795);(177.0546151,3.924773989);(189.0546151,1.318341639);(191.0702643,0.8451050508);(219.0651784,2.474215226);(307.0964768,0.7463586467);(308.1043014,0.9496504749);(309.112126,1.195925229);(310.1199506,0.7704426126);(320.1043014,1.097906355);(321.112126,1.924983959);(323.0913909,1.954886038);(338.1148647,1.390540703)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(115.0491,2.01);(117.0286,32.88);(118.0327,4.05);(119.0445,54.38);(120.0481,5.01);(121.0606,1.86);(122.0321,1.99);(128.0585,1.18);(131.0461,11.17);(132.051,1.53);(134.0335,16.7);(135.0384,1.94);(136.0493,6.51);(137.0572,7.74);(139.0521,1.42);(141.0682,1.97);(145.0269,94.14);(146.0317,11.28);(147.0427,100.0);(148.0465,10.69);(149.0585,44.07);(150.0622,4.95);(152.0612,8.84);(153.0662,1.76);(157.0647,1.57);(160.0511,1.14);(161.0591,3.84);(162.0311,3.94);(163.0388,2.44);(165.0698,8.0);(166.0767,4.3);(167.0852,7.66);(168.0571,2.3);(169.0652,2.66);(171.0523,1.41);(176.0624,4.97);(177.0555,29.0);(178.0587,3.47);(179.061,1.18);(181.0649,2.14);(183.0809,1.87);(184.0885,1.22);(189.0558,1.15);(190.0779,1.04);(194.0738,3.91);(195.0817,26.21);(196.0849,3.89);(197.0615,3.36);(205.0662,1.96);(206.0719,1.07);(211.0771,2.02);(212.0843,2.14);(215.0868,1.94);(222.0691,1.14);(223.0771,11.09);(224.0825,3.17);(231.0822,1.23);(239.0719,1.95);(240.0792,1.68)
LC-MS/MS	Not Available	Negative	Not Available	View Spectrum	(119.0502,5.49);(143.0511,3.08);(149.0618,3.75);(173.0623,5.03);(187.0417,15.96);(188.0451,1.9);(217.0523,47.96);(218.0557,6.23);(337.1088,100.0);(338.112,24.3);(339.1157,3.25)
LC-MS/MS	Not Available	Negative	Not Available	View Spectrum	(117.0341,2.6);(119.0498,100.0);(120.0532,10.71);(132.0214,1.25);(134.0372,36.45);(135.0408,3.52);(143.0502,31.09);(144.0536,3.59);(145.0295,17.98);(146.0336,1.82);(149.0608,22.82);(150.0641,2.14);(158.0374,43.42);(159.0412,5.06);(160.0167,8.62);(161.0608,2.27);(163.04,1.21);(173.0609,34.99);(174.0643,4.98);(175.0401,12.89);(176.0457,2.21);(187.0402,6.11);(191.0715,1.86);(201.0195,10.24);(202.0272,23.7);(203.0305,3.01);(217.0508,14.87);(218.0541,2.32)
LC-MS/MS	Not Available	Negative	Not Available	View Spectrum	(117.0345,1.39);(119.0502,100.0);(120.0535,9.2);(134.0375,18.14);(135.0425,1.88);(143.0506,42.74);(144.054,5.63);(145.0299,25.05);(146.0333,2.53);(149.0612,49.07);(150.0645,4.97);(158.0378,18.32);(159.0416,1.98);(160.017,3.04);(161.0612,2.14);(163.0405,3.13);(173.0613,91.11);(174.0647,11.49);(175.0406,20.44);(176.0442,2.39);(187.0406,29.06);(188.044,3.78);(191.0719,2.14);(193.051,2.74);(201.0199,2.2);(202.0276,10.16);(203.0312,1.2);(217.0511,99.3);(218.0544,14.79);(219.0573,1.44);(322.084,1.41);(337.1076,33.58);(338.111,8.97);(339.1154,1.03)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(117.0284,2.88);(119.0444,7.39);(121.0603,1.59);(131.046,10.52);(132.0494,1.06);(136.0491,3.06);(137.057,3.33);(145.0266,48.13);(146.0303,5.16);(147.0424,100.0);(148.0459,9.7);(149.0581,5.3);(151.0741,4.37);(161.059,5.76);(175.0752,1.35);(177.0548,88.5);(178.0582,9.62);(179.0609,1.09);(189.0551,4.53);(195.0811,9.08);(196.0848,1.44);(219.0663,2.8);(223.0765,31.43);(224.0805,6.21);(229.0869,1.33);(240.0793,1.24);(255.1028,23.95);(256.1059,3.97)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(117.0289,11.89);(118.0328,1.5);(119.0449,24.39);(120.0484,2.45);(121.0606,1.35);(131.0462,9.36);(134.0336,3.8);(136.0494,3.98);(137.0572,4.81);(145.0269,85.65);(146.0309,9.55);(147.0427,100.0);(148.0462,9.22);(149.0584,18.59);(150.0622,1.7);(151.0742,1.3);(152.0609,1.62);(161.0592,4.85);(162.0307,1.68);(163.0386,1.87);(165.0698,1.81);(167.0853,3.82);(169.0648,1.08);(171.0451,1.36);(177.055,45.61);(178.0585,5.47);(181.0653,1.18);(189.0555,2.06);(194.0735,1.09);(195.0813,20.67);(196.0848,3.45);(197.0607,1.27);(219.0663,1.03);(223.0766,22.68);(224.0812,4.46);(240.0792,2.11);(255.1029,2.28)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(119.0468,1.51);(121.0626,1.78);(131.0477,4.65);(137.0584,1.71);(145.0278,9.79);(146.0313,1.04);(147.0436,61.97);(148.0469,6.01);(149.059,1.68);(151.0749,7.65);(161.0596,4.12);(175.0758,4.99);(177.0551,91.28);(178.0585,10.06);(179.0625,1.08);(189.0552,4.48);(195.0813,1.81);(203.0714,1.64);(215.0714,1.51);(219.0661,5.32);(223.0764,14.11);(224.0798,2.25);(229.0868,3.35);(245.0819,5.26);(255.1029,100.0);(256.1061,16.98);(257.1085,1.66);(269.1181,3.34);(289.087,1.11);(339.1235,22.06);(340.1268,4.78)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(147.0428,6.78);(175.0751,1.32);(177.0547,19.0);(178.0581,2.0);(219.0658,1.23);(245.0816,5.35);(255.1023,11.31);(256.1054,1.97);(269.118,1.15);(339.1231,100.0);(340.1263,20.23);(341.1305,3.62)
LC-MS/MS	Not Available	Negative	Not Available	View Spectrum	(115.0544,1.07);(117.0339,4.76);(119.0496,100.0);(120.0531,9.83);(130.0421,1.69);(132.0217,4.39);(133.0291,1.93);(134.0374,43.57);(135.0409,4.31);(143.0506,20.05);(144.0539,2.29);(145.0299,10.99);(146.0357,1.72);(147.0452,1.32);(149.0613,6.24);(158.038,47.92);(159.042,6.02);(160.0172,11.6);(161.0231,1.88);(173.0616,6.47);(174.033,2.06);(175.0409,5.86);(176.047,1.15);(187.0412,2.21);(201.0204,23.42);(202.0275,13.42);(203.0311,1.79);(217.0515,1.4)
LC-MS/MS	Not Available	Negative	Not Available	View Spectrum	(115.0545,1.75);(117.034,12.82);(118.0375,1.45);(119.0498,100.0);(120.0532,8.94);(129.0345,1.78);(130.0424,2.82);(132.0219,16.11);(133.0289,5.06);(134.0376,36.52);(135.0413,3.6);(143.0508,10.93);(144.0542,1.42);(145.0301,12.65);(146.0362,2.34);(147.0456,3.0);(149.0611,1.25);(157.0305,1.12);(158.0383,30.59);(159.0435,3.97);(160.0176,17.89);(161.0239,3.89);(163.0412,1.12);(173.0256,2.37);(174.0327,1.85);(175.0412,7.98);(176.0468,1.32);(201.0207,21.49);(202.0259,3.86)
LC-MS/MS	LC-ESI-QTOF	Negative	low	View Spectrum	(119.0502,0.05505506);(143.0511,0.03103103);(149.0618,0.03703704);(173.0623,0.05005005);(187.0417,0.15915916);(188.0451,0.01901902);(217.0523,0.47947948);(218.0557,0.06206206);(337.1088,1.0);(337.1715,0.01401401);(338.112,0.24324324);(339.1157,0.03203203)
LC-MS/MS	LC-ESI-QTOF	Positive	medium	View Spectrum	(119.0468,0.01501502);(121.0626,0.01801802);(131.0477,0.04604605);(137.0584,0.01701702);(145.0278,0.0980981);(145.0643,0.01801802);(146.0313,0.01001001);(147.0436,0.61961962);(148.0469,0.06006006);(149.059,0.01701702);(151.0385,0.04304304);(151.0749,0.07607608);(161.0596,0.04104104);(175.0758,0.05005005);(177.0551,0.91291291);(178.0585,0.1011011);(179.0625,0.01101101);(189.0552,0.04504505);(195.0813,0.01801802);(203.0714,0.01601602);(215.0714,0.01501502);(219.0661,0.05305305);(223.0764,0.14114114);(224.0798,0.02302302);(229.0868,0.03303303);(245.0819,0.05305305);(255.1029,1.0);(256.1061,0.17017017);(257.1085,0.01701702);(269.1181,0.03303303);(289.087,0.01101101);(339.1235,0.22022022);(340.1268,0.04804805)
LC-MS/MS	LC-ESI-QTOF	Negative	high	View Spectrum	(115.0544,0.01101101);(117.0339,0.04804805);(119.0496,1.0);(120.0531,0.0980981);(130.0421,0.01701702);(132.0217,0.04404404);(133.0291,0.01901902);(134.0374,0.43543544);(135.0409,0.04304304);(143.0506,0.2002002);(144.0539,0.02302302);(145.0299,0.11011011);(146.0357,0.01701702);(147.0452,0.01301301);(149.0613,0.06206206);(158.038,0.47947948);(159.042,0.06006006);(160.0172,0.11611612);(161.0231,0.01901902);(161.0614,0.01301301);(173.0616,0.06506507);(174.033,0.02102102);(175.0409,0.05905906);(176.047,0.01101101);(187.0412,0.02202202);(201.0204,0.23423423);(202.0275,0.13413413);(203.0311,0.01801802);(217.0515,0.01401401)
LC-MS/MS	LC-ESI-QTOF	Positive	low	View Spectrum	(147.0428,0.06806807);(175.0751,0.01301301);(177.0547,0.19019019);(178.0581,0.02002002);(219.0658,0.01201201);(245.0816,0.05305305);(255.1023,0.11311311);(256.1054,0.02002002);(269.118,0.01101101);(339.1231,1.0);(339.1932,0.01301301);(340.1263,0.2022022);(341.1305,0.03603604)
LC-MS/MS	LC-ESI-QTOF	Positive	high	View Spectrum	(115.0491,0.02002002);(117.0286,0.32832833);(118.0327,0.04004004);(119.0445,0.54354354);(120.0481,0.05005005);(121.0606,0.01901902);(122.0321,0.02002002);(128.0585,0.01201201);(131.0461,0.11211211);(132.051,0.01501502);(134.0335,0.16716717);(135.0384,0.01901902);(136.0493,0.06506507);(137.0572,0.07707708);(139.0521,0.01401401);(141.0682,0.02002002);(145.0269,0.94094094);(145.0633,0.01801802);(146.0317,0.11311311);(147.0427,1.0);(148.0465,0.10710711);(149.0585,0.44044044);(150.0622,0.04904905);(152.0612,0.08808809);(153.0662,0.01801802);(157.0647,0.01601602);(160.0511,0.01101101);(161.0591,0.03803804);(162.0311,0.03903904);(163.0388,0.02402402);(165.0698,0.08008008);(166.0767,0.04304304);(167.0852,0.07707708);(168.0571,0.02302302);(168.0893,0.01201201);(169.0652,0.02702703);(171.0523,0.01401401);(176.0624,0.05005005);(177.0555,0.29029029);(178.0587,0.03503504);(178.0747,0.02302302);(179.061,0.01201201);(181.0649,0.02102102);(183.0809,0.01901902);(184.0885,0.01201201);(189.0558,0.01201201);(190.0779,0.01001001);(194.0738,0.03903904);(195.0817,0.26226226);(196.0849,0.03903904);(197.0615,0.03403403);(205.0662,0.02002002);(206.0719,0.01101101);(211.0771,0.02002002);(212.0843,0.02102102);(215.0868,0.01901902);(222.0691,0.01101101);(223.0771,0.11111111);(224.0825,0.03203203);(231.0822,0.01201201);(239.0719,0.01901902);(240.0792,0.01701702)
LC-MS/MS	LC-ESI-QTOF	Positive	medium	View Spectrum	(117.0284,0.02902903);(119.0444,0.07407407);(121.0603,0.01601602);(131.046,0.10510511);(132.0494,0.01101101);(136.0491,0.03103103);(137.057,0.03303303);(145.0266,0.48148148);(145.063,0.01201201);(146.0303,0.05205205);(147.0424,1.0);(148.0459,0.0970971);(149.0581,0.05305305);(151.0377,0.01801802);(151.0741,0.04404404);(161.059,0.05805806);(175.0752,0.01301301);(177.0548,0.88488488);(178.0582,0.0960961);(179.0609,0.01101101);(189.0551,0.04504505);(195.0811,0.09109109);(196.0848,0.01401401);(219.0663,0.02802803);(223.0765,0.31431431);(224.0805,0.06206206);(229.0869,0.01301301);(240.0793,0.01201201);(255.1028,0.23923924);(256.1059,0.04004004)
LC-MS/MS	LC-ESI-QTOF	Negative	medium	View Spectrum	(117.0341,0.02602603);(119.0498,1.0);(120.0532,0.10710711);(132.0214,0.01301301);(134.0372,0.36436436);(135.0408,0.03503504);(143.0502,0.31131131);(144.0536,0.03603604);(145.0295,0.18018018);(146.0336,0.01801802);(149.0608,0.22822823);(150.0641,0.02102102);(158.0374,0.43443443);(159.0412,0.05105105);(160.0167,0.08608609);(161.0231,0.01701702);(161.0608,0.02302302);(163.04,0.01201201);(173.0609,0.35035035);(174.0323,0.01501502);(174.0643,0.05005005);(175.0401,0.12912913);(176.0457,0.02202202);(187.0402,0.06106106);(191.0715,0.01901902);(201.0195,0.1021021);(202.0272,0.23723724);(203.0305,0.03003003);(217.0508,0.14914915);(218.0541,0.02302302)
LC-MS/MS	LC-ESI-QTOF	Negative	medium	View Spectrum	(117.0345,0.01401401);(119.0502,1.0);(120.0535,0.09209209);(134.0375,0.18118118);(135.0425,0.01901902);(143.0506,0.42742743);(144.054,0.05605606);(145.0299,0.25025025);(146.0333,0.02502503);(149.0612,0.49049049);(150.0645,0.05005005);(158.0378,0.18318318);(159.0416,0.02002002);(160.017,0.03003003);(161.0242,0.01401401);(161.0612,0.02102102);(163.0405,0.03103103);(173.0613,0.91091091);(174.0647,0.11511512);(175.0406,0.2042042);(176.0442,0.02402402);(187.0406,0.29029029);(188.044,0.03803804);(191.0719,0.02102102);(193.051,0.02702703);(201.0199,0.02202202);(202.0276,0.1011011);(203.0312,0.01201201);(217.0511,0.99299299);(218.0544,0.14814815);(219.0573,0.01401401);(322.084,0.01401401);(337.1076,0.33533534);(338.111,0.09009009);(339.1154,0.01001001)
LC-MS/MS	LC-ESI-QTOF	Negative	high	View Spectrum	(115.0545,0.01701702);(117.034,0.12812813);(118.0375,0.01401401);(119.0498,1.0);(120.0532,0.08908909);(129.0345,0.01801802);(130.0424,0.02802803);(132.0219,0.16116116);(133.0289,0.05105105);(134.0376,0.36536537);(135.0413,0.03603604);(143.0508,0.10910911);(144.0542,0.01401401);(145.0301,0.12612613);(146.0362,0.02302302);(147.0456,0.03003003);(149.0611,0.01201201);(157.0305,0.01101101);(158.0383,0.30630631);(159.0435,0.04004004);(160.0176,0.17917918);(161.0239,0.03903904);(161.0618,0.01201201);(163.0412,0.01101101);(173.0256,0.02402402);(174.0327,0.01801802);(175.0412,0.08008008);(176.0468,0.01301301);(201.0207,0.21521522);(202.0259,0.03903904)
LC-MS/MS	LC-ESI-QTOF	Positive	high	View Spectrum	(117.0289,0.11911912);(118.0328,0.01501502);(119.0449,0.24424424);(120.0484,0.02502503);(121.0606,0.01401401);(131.0462,0.09309309);(134.0336,0.03803804);(136.0494,0.04004004);(137.0572,0.04804805);(145.0269,0.85685686);(145.0635,0.01201201);(146.0309,0.0950951);(147.0427,1.0);(148.0462,0.09209209);(149.0584,0.18618619);(150.0622,0.01701702);(151.0382,0.01001001);(151.0742,0.01301301);(152.0609,0.01601602);(161.0592,0.04804805);(162.0307,0.01701702);(163.0386,0.01901902);(165.0698,0.01801802);(167.0853,0.03803804);(169.0648,0.01101101);(171.0451,0.01401401);(177.055,0.45645646);(178.0585,0.05505506);(181.0653,0.01201201);(189.0555,0.02102102);(194.0735,0.01101101);(195.0813,0.20620621);(196.0848,0.03403403);(197.0607,0.01301301);(219.0663,0.01001001);(223.0766,0.22722723);(224.0812,0.04504505);(240.0792,0.02102102);(255.1029,0.02302302)
Predicted LC-MS/MS	Not Available	Positive	low	View Spectrum	(95.04968984,0.5550235796);(107.0496898,3.848459012);(119.0496898,1.436230645);(121.0653399,0.4440697667);(125.0602545,0.5292336457);(137.0602545,3.826995395);(143.0496898,0.4527818521);(145.0289544,1.343762399);(147.0446045,6.378891301);(149.0602545,1.845033171);(151.0759046,0.4260081233);(161.0602545,1.321407109);(173.0602545,0.4717669733);(175.0395191,1.287804115);(177.0551691,6.178729252);(179.0708192,0.4213995867);(185.0602545,0.5081976864);(189.0551691,0.7966925553);(191.0708192,1.320488494);(203.0708192,1.743209166);(213.0551691,0.377159133);(215.0708192,1.642920863);(219.0657338,0.7966925553);(233.0813839,1.719334533);(245.0813839,1.134723177);(303.1021193,1.545933582);(307.097034,0.9180142101);(309.112684,1.112878922);(321.112684,14.44123986);(323.0919486,0.4250872615);(339.1232487,40.74983207)
Predicted LC-MS/MS	Not Available	Positive	med	View Spectrum	(107.0496898,4.197194311);(119.0496898,4.300885458);(121.0653399,1.77644063);(131.0496898,1.272474688);(137.0602545,3.92066294);(143.0496898,1.166055686);(145.0289544,4.722784988);(147.0446045,22.19763769);(149.0602545,4.685831757);(151.0759046,1.279909224);(161.0602545,2.389697127);(163.0759046,0.7870601611);(171.0446045,0.8393745093);(173.0602545,1.222524411);(175.0395191,2.83693592);(177.0551691,16.48993508);(179.0708192,0.7956189637);(189.0551691,1.527328679);(191.0708192,1.704480045);(201.0551691,0.8393745093);(203.0708192,0.825317114);(215.0708192,1.723663155);(219.0657338,1.527328679);(245.0813839,1.190237902);(295.097034,1.086699264);(297.112684,0.8017110423);(307.097034,0.7089232108);(307.097034,0.7579595044);(309.112684,2.186630698);(321.112684,4.124859729);(339.1232487,6.114462927)
Predicted LC-MS/MS	Not Available	Positive	high	View Spectrum	(43.01838972,2.390000065);(51.0234751,1.989740029);(69.03403978,1.655669958);(77.03912516,4.111274701);(79.01838972,2.820256327);(89.03912516,1.915454412);(105.0340398,2.936908963);(107.0496898,7.42364905);(115.0183897,2.500452061);(117.0340398,2.107653382);(119.0496898,9.880294822);(131.0496898,1.54562177);(133.0289544,1.136593274);(135.0446045,1.292668687);(137.0602545,5.16854161);(143.0496898,2.994953212);(145.0289544,6.619469744);(145.0653399,1.978538076);(147.0446045,10.24978596);(149.0602545,6.181171758);(161.023869,1.3273603);(161.0602545,1.93299365);(173.0602545,2.812423936);(175.0395191,3.743232298);(175.0759046,1.192101709);(177.0551691,4.478826956);(185.0602545,1.596400816);(191.0708192,1.155102572);(215.0708192,1.722428963);(293.0813839,1.153866192);(309.112684,1.986564749)
Predicted LC-MS/MS	Not Available	Negative	low	View Spectrum	(31.01838972,0.212966651);(41.00273965,0.2515326412);(55.01838972,0.2097757808);(68.99765427,0.1461726402);(97.0289544,0.1482522886);(117.0340398,0.3563545094);(119.0496898,4.291966928);(133.0289544,0.3904111601);(145.0289544,1.357424803);(147.0446045,1.561009105);(149.0602545,3.855008211);(159.0446045,0.5057619515);(161.023869,0.1461281149);(161.0602545,3.575454297);(175.0395191,1.617883759);(177.0551691,1.166158885);(187.0395191,1.823914217);(189.0551691,2.745454925);(191.0708192,3.246035614);(201.0551691,0.2363120908);(203.0344337,0.2441227679);(217.0500838,1.774478807);(219.0657338,2.16103914);(231.0657338,0.2373914416);(305.0813839,0.3569137089);(307.097034,0.4664244131);(311.0919486,0.1832332807);(319.097034,2.591637521);(319.097034,2.860689065);(321.0762985,0.6248074081);(337.1075986,60.65528387)
Predicted LC-MS/MS	Not Available	Negative	med	View Spectrum	(41.00273965,0.637825713);(105.0340398,0.910356727);(117.0340398,1.649165783);(119.0496898,9.12877047);(133.0289544,2.801393976);(135.0446045,1.166613506);(143.0496898,0.7434738046);(145.0289544,5.614821139);(147.0446045,3.629663247);(149.0602545,5.452256766);(159.0446045,1.899337865);(161.023869,1.327646022);(161.0602545,7.021397647);(175.0395191,6.579777979);(177.0551691,1.995743147);(187.0395191,3.76839653);(189.0551691,3.017246544);(191.0708192,4.471885261);(201.0551691,1.16003294);(203.0344337,0.9329944262);(217.0500838,3.135564406);(219.0657338,1.327955347);(231.0657338,1.089498041);(293.0813839,0.5849211917);(295.097034,1.003618784);(305.0813839,1.377888637);(307.097034,1.310476402);(319.097034,1.62235448);(319.097034,1.876892178);(321.0762985,3.422860281);(337.1075986,19.33917076)
Predicted LC-MS/MS	Not Available	Negative	high	View Spectrum	(41.00273965,4.966721716);(43.01838972,2.407769409);(55.01838972,1.333660308);(93.03403978,2.237806196);(105.0340398,3.485775502);(117.0340398,5.366468003);(119.0496898,7.79876399);(133.0289544,4.099389113);(135.0446045,2.188286056);(143.0496898,2.443322873);(145.0289544,3.698889504);(147.0446045,3.380846997);(149.0602545,2.974170298);(159.0446045,7.989154877);(161.023869,1.474723527);(161.0602545,8.837336867);(175.0395191,7.805473757);(177.0551691,1.909765653);(187.0395191,2.593774918);(189.0551691,2.67505572);(191.0708192,1.38603822);(201.0551691,1.850269129);(203.0344337,2.184599509);(215.0344337,1.729471607);(281.0813839,1.5926345);(291.0657338,1.476152786);(305.0813839,1.459364972);(307.097034,2.402047406);(319.097034,2.181730586);(319.097034,2.028925201);(321.0762985,2.041610798)
Predicted LC-MS/MS	Not Available	Positive	low	View Spectrum	(145.02841,9.32);(145.02841,9.32);(145.02841,9.32);(147.04406,48.71);(147.04406,48.71);(147.04406,48.71);(147.04406,48.71);(147.04406,48.71);(147.04406,48.71);(147.04406,48.71);(177.05462,46.54);(177.05462,46.54);(177.05462,46.54);(177.05462,46.54);(177.05462,46.54);(177.05462,46.54);(177.05462,46.54);(177.05462,46.54);(307.09649,16.22);(307.09649,16.22);(307.09649,16.22);(307.09649,16.22);(321.11214,16.44);(321.11214,16.44);(321.11214,16.44);(321.11214,16.44);(321.11214,16.44);(321.11214,16.44);(339.1227,100.0);(339.1227,100.0);(339.1227,100.0);(339.1227,100.0);(339.1227,100.0);(339.1227,100.0);(339.1227,100.0);(339.1227,100.0);(339.1227,100.0);(339.1227,100.0)
Predicted LC-MS/MS	Not Available	Positive	medium	View Spectrum	(97.02841,4.16);(105.03349,9.89);(105.03349,9.89);(105.03349,9.89);(107.04914,3.9);(107.04914,3.9);(107.04914,3.9);(117.03349,3.63);(117.03349,3.63);(117.03349,3.63);(117.03349,3.63);(119.04914,21.36);(119.04914,21.36);(119.04914,21.36);(119.04914,21.36);(119.04914,21.36);(129.03349,8.35);(129.03349,8.35);(131.04914,4.87);(131.04914,4.87);(135.04406,13.88);(135.04406,13.88);(137.05971,6.73);(137.05971,6.73);(145.02841,41.94);(145.02841,41.94);(145.02841,41.94);(147.04406,100.0);(147.04406,100.0);(147.04406,100.0);(147.04406,100.0);(147.04406,100.0);(147.04406,100.0);(147.04406,100.0);(149.05971,12.61);(149.05971,12.61);(149.05971,12.61);(149.05971,12.61);(149.05971,12.61);(149.05971,12.61);(149.05971,12.61);(159.04406,11.14);(159.04406,11.14);(159.04406,11.14);(161.05971,13.06);(161.05971,13.06);(161.05971,13.06);(161.05971,13.06);(161.05971,13.06);(177.05462,39.06);(177.05462,39.06);(177.05462,39.06);(177.05462,39.06);(177.05462,39.06);(177.05462,39.06);(177.05462,39.06);(177.05462,39.06);(179.07027,5.0);(179.07027,5.0);(179.07027,5.0);(179.07027,5.0);(187.07536,13.11);(187.07536,13.11);(189.05462,6.1);(189.05462,6.1);(191.07027,5.49);(191.07027,5.49);(191.07027,5.49);(191.07027,5.49);(191.07027,5.49);(191.07027,5.49);(193.08592,3.72);(193.08592,3.72);(193.08592,3.72);(193.08592,3.72);(193.08592,3.72);(203.07027,7.37);(203.07027,7.37);(205.08592,5.04);(205.08592,5.04);(205.08592,5.04);(215.07027,3.35);(215.07027,3.35);(221.08084,3.67);(221.08084,3.67);(307.09649,7.62);(307.09649,7.62);(307.09649,7.62);(307.09649,7.62);(311.12779,3.77);(311.12779,3.77);(311.12779,3.77);(321.11214,11.82);(321.11214,11.82);(321.11214,11.82);(321.11214,11.82);(321.11214,11.82);(321.11214,11.82);(339.1227,22.96);(339.1227,22.96);(339.1227,22.96);(339.1227,22.96);(339.1227,22.96);(339.1227,22.96);(339.1227,22.96);(339.1227,22.96);(339.1227,22.96);(339.1227,22.96)
Predicted LC-MS/MS	Not Available	Positive	high	View Spectrum	(45.03349,11.91);(77.03858,26.11);(79.05423,13.26);(79.05423,13.26);(89.03858,13.66);(91.05423,18.92);(91.05423,18.92);(101.03858,16.81);(103.05423,14.91);(105.03349,15.83);(105.03349,15.83);(105.03349,15.83);(107.04914,32.44);(107.04914,32.44);(107.04914,32.44);(117.03349,30.91);(117.03349,30.91);(117.03349,30.91);(117.03349,30.91);(119.04914,100.0);(119.04914,100.0);(119.04914,100.0);(119.04914,100.0);(119.04914,100.0);(121.06479,27.41);(121.06479,27.41);(121.06479,27.41);(121.06479,27.41);(121.06479,27.41);(131.04914,18.05);(131.04914,18.05);(133.06479,14.37);(133.06479,14.37);(133.06479,14.37);(145.02841,11.45);(145.02841,11.45);(145.02841,11.45);(145.06479,39.55);(145.06479,39.55);(147.04406,41.65);(147.04406,41.65);(147.04406,41.65);(147.04406,41.65);(147.04406,41.65);(147.04406,41.65);(147.04406,41.65);(149.05971,49.1);(149.05971,49.1);(149.05971,49.1);(149.05971,49.1);(149.05971,49.1);(149.05971,49.1);(149.05971,49.1);(161.05971,16.37);(161.05971,16.37);(161.05971,16.37);(161.05971,16.37);(161.05971,16.37);(175.03897,11.24);(175.03897,11.24);(177.05462,17.51);(177.05462,17.51);(177.05462,17.51);(177.05462,17.51);(177.05462,17.51);(177.05462,17.51);(177.05462,17.51);(177.05462,17.51);(191.07027,14.14);(191.07027,14.14);(191.07027,14.14);(191.07027,14.14);(191.07027,14.14);(191.07027,14.14);(239.07027,10.68);(253.08592,11.81);(253.08592,11.81);(267.10157,12.92);(281.08084,13.92);(281.08084,13.92);(281.08084,13.92);(285.11214,12.96);(285.11214,12.96);(285.11214,12.96);(307.09649,12.31);(307.09649,12.31);(307.09649,12.31);(307.09649,12.31);(309.11214,16.5);(309.11214,16.5);(309.11214,16.5);(339.1227,16.05);(339.1227,16.05);(339.1227,16.05);(339.1227,16.05);(339.1227,16.05);(339.1227,16.05);(339.1227,16.05);(339.1227,16.05);(339.1227,16.05);(339.1227,16.05)
Predicted LC-MS/MS	Not Available	Negative	low	View Spectrum	(119.05024,37.16);(119.05024,37.16);(119.05024,37.16);(119.05024,37.16);(119.05024,37.16);(149.0608,25.63);(149.0608,25.63);(149.0608,25.63);(161.0608,12.56);(191.07137,50.67);(191.07137,50.67);(191.07137,50.67);(191.07137,50.67);(199.04007,29.78);(199.04007,29.78);(217.05063,100.0);(217.05063,100.0);(217.05063,100.0);(217.05063,100.0);(337.10815,42.86);(337.10815,42.86);(337.10815,42.86);(337.10815,42.86);(337.10815,42.86);(337.10815,42.86);(337.10815,42.86);(337.10815,42.86);(337.10815,42.86);(337.10815,42.86)
Predicted LC-MS/MS	Not Available	Negative	medium	View Spectrum	(101.03967,7.79);(117.03459,8.14);(117.03459,8.14);(119.05024,100.0);(119.05024,100.0);(119.05024,100.0);(119.05024,100.0);(119.05024,100.0);(133.0295,46.84);(135.04515,16.03);(135.04515,16.03);(135.04515,16.03);(145.0295,4.29);(145.0295,4.29);(145.0295,4.29);(145.0295,4.29);(147.04515,13.14);(147.04515,13.14);(147.04515,13.14);(147.04515,13.14);(147.04515,13.14);(147.04515,13.14);(149.0608,14.4);(149.0608,14.4);(149.0608,14.4);(159.04515,5.03);(161.02442,9.34);(161.02442,9.34);(161.0608,12.09);(175.04007,29.84);(175.04007,29.84);(175.04007,29.84);(189.05572,6.87);(189.05572,6.87);(189.05572,6.87);(189.05572,6.87);(191.07137,6.21);(191.07137,6.21);(191.07137,6.21);(191.07137,6.21);(201.05572,11.63);(203.03498,9.91);(231.06628,7.24);(231.06628,7.24);(283.09758,4.33);(283.09758,4.33);(283.09758,4.33);(303.06628,5.05);(303.06628,5.05);(317.08193,6.83);(317.08193,6.83);(319.09758,10.89);(319.09758,10.89);(319.09758,10.89);(319.09758,10.89);(319.09758,10.89);(321.07685,5.15);(321.07685,5.15);(321.07685,5.15);(321.07685,5.15);(321.07685,5.15);(335.0925,47.42);(337.10815,29.91);(337.10815,29.91);(337.10815,29.91);(337.10815,29.91);(337.10815,29.91);(337.10815,29.91);(337.10815,29.91);(337.10815,29.91);(337.10815,29.91);(337.10815,29.91)
Predicted LC-MS/MS	Not Available	Negative	high	View Spectrum	(93.03459,13.59);(93.03459,13.59);(93.03459,13.59);(101.03967,10.35);(117.03459,32.44);(117.03459,32.44);(119.05024,100.0);(119.05024,100.0);(119.05024,100.0);(119.05024,100.0);(119.05024,100.0);(131.01385,8.41);(131.01385,8.41);(133.0295,27.44);(135.04515,16.18);(135.04515,16.18);(135.04515,16.18);(145.0295,7.79);(145.0295,7.79);(145.0295,7.79);(145.0295,7.79);(147.04515,10.91);(147.04515,10.91);(147.04515,10.91);(147.04515,10.91);(147.04515,10.91);(147.04515,10.91);(149.0608,4.76);(149.0608,4.76);(149.0608,4.76);(159.00877,6.41);(159.00877,6.41);(161.02442,10.28);(161.02442,10.28);(173.02442,6.34);(173.02442,6.34);(173.02442,6.34);(173.02442,6.34);(175.04007,8.23);(175.04007,8.23);(175.04007,8.23);(215.03498,3.89);(215.03498,3.89);(239.07137,4.6);(241.08702,6.7);(267.06628,4.85);(267.06628,4.85);(269.08193,7.88);(283.09758,7.43);(283.09758,7.43);(283.09758,7.43);(303.06628,7.32);(303.06628,7.32);(307.09758,3.66);(307.09758,3.66);(319.09758,3.86);(319.09758,3.86);(319.09758,3.86);(319.09758,3.86);(319.09758,3.86);(335.0925,60.39)

Food Sources

No food source information available

Role as Biomarker of intake

No roles as Biomarker of intake found

Metabolism

	Food Phytochemical		Metabolite	Species	Biofluids	Origin	TMax	CMax	Urinary Excretion	Formula	Monoisotopic mass
	Demethoxycurcumin		Demethoxycurcumin	human	plasma, serum	unchanged	3h-5h	20-50 nmol/L	Not Available	C₂₀H₁₈O₅	338.11542368	Detailed Intervention Studies	Publications
	Curcuminoids		Demethoxycurcumin	human	serum	gut microbiota metabolite	1h-3h	<20 nmol/L	Not Available	C₂₀H₁₈O₅	338.11542368	Detailed Intervention Studies	Publications

Inter-Individual Variations in Metabolism

	Food Phytochemical		Metabolite	Effect	Value
	Demethoxycurcumin		Demethoxycurcumin	Age	Effect, clusters	Publications
	Demethoxycurcumin		Demethoxycurcumin	Sex	Effect, clusters	Publications

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