PhytoHub: Showing entry for 5-(3',4'-dihydroxyphenyl)valeric acid

5-(3',4'-dihydroxyphenyl)valeric acid

Identification

PhytoHub ID

PHUB001061

Name

5-(3',4'-dihydroxyphenyl)valeric acid

Systematic Name

Not Available

Synonyms

Not Available

CAS Number

Not Available

Average Mass

210.229

Monoisotopic Mass

210.089208931

Chemical Formula

C₁₁H₁₄O₄

IUPAC Name

5-(3,4-dihydroxyphenyl)pentanoic acid

InChI Key

KTDWBJGUMIZRHU-UHFFFAOYSA-N

InChI Identifier

InChI=1S/C11H14O4/c12-9-6-5-8(7-10(9)13)3-1-2-4-11(14)15/h5-7,12-13H,1-4H2,(H,14,15)

SMILES

OC(=O)CCCCC1=CC(O)=C(O)C=C1

Structure

Similar Structures

Calculated Properties

Solubility (ALOGPS): 6.79e-01 g/l
LogS (ALOGPS): -2.49
LogP (ALOGPS): 1.87
Hydrogen Acceptors: 4
Hydrogen Donors: 3
Rotatable Bond Count: 5
Polar Surface Area: 77.75999999999999
Refractivity: 55.130400000000016
Polarizability: 21.99451448407269
Formal Charge: 0
Physiological Charge: -1
pKa (strongest basic): -6.249138264740745
pKa (strongest acidic): 4.05045006519918
Number of Rings: 1
Rule of Five: Yes
Bioavailability: Yes
Ghose Filter: Yes
Veber's Rule: No
MDDR-like Rule: No

External Links

PubChem: 49831816
Phenol-Explorer: 982
FooDB (Compounds): FDB029855
PeakForestCompound: 000768

Taxonomy as Metabolite

Family: (Poly)phenol metabolites
Class: Flavonoid metabolites
Sub-class: Phenylvalerolactones and phenylvaleric acids

Taxonomy of its Food Phytochemical Precursor(s)

Food Phytochemical	Family	Class	Sub-class
(-)-Epicatechin	Polyphenols	Flavonoids	Flavan-3-ols	Show Food Phytochemical
Procyanidin dimer B2	Polyphenols	Flavonoids	Flavan-3-ols	Show Food Phytochemical
(+)-Catechin	Polyphenols	Flavonoids	Flavan-3-ols	Show Food Phytochemical

Classyfire Taxonomy

Kingdom Name: Organic compounds
Class: Phenols
Super-class: Benzenoids
Sub-class: Benzenediols
Direct Parent Name: Catechols
Alternative Parent Names: ["1-hydroxy-2-unsubstituted benzenoids", "1-hydroxy-4-unsubstituted benzenoids", "Benzene and substituted derivatives", "Carbonyl compounds", "Carboxylic acids", "Hydrocarbon derivatives", "Hydroxy fatty acids", "Medium-chain fatty acids", "Monocarboxylic acids and derivatives", "Organic oxides"]
External Descriptor Annotations: Not Available
Substituent Names: ["1-hydroxy-2-unsubstituted benzenoid", "1-hydroxy-4-unsubstituted benzenoid", "Aromatic homomonocyclic compound", "Carbonyl group", "Carboxylic acid", "Carboxylic acid derivative", "Catechol", "Fatty acid", "Fatty acyl", "Hydrocarbon derivative", "Hydroxy fatty acid", "Medium-chain fatty acid", "Monocarboxylic acid or derivatives", "Monocyclic benzene moiety", "Organic oxide", "Organic oxygen compound", "Organooxygen compound"]

Spectra from Phytohub

Spectrum Type	Instrument Type	Ion Mode	Collision Energy Level	View	Peaks

Predicted GC-MS	GC-MS	Positive	Not Available	View Spectrum	(25.00727602,2.048550519);(27.02292522,3.881330725);(41.03857442,1.624923964);(44.99710422,8.355279239);(58.00492882,1.525226145);(59.01275342,1.791736477);(71.01275342,2.091334016);(72.02057802,1.901769133);(73.02840262,2.251772956);(87.04405182,1.653771329);(95.04913772,1.730904788);(109.0284026,4.240178493);(121.0284026,10.26818234);(122.0362272,2.100207399);(123.0440518,7.300540556);(124.0518764,1.892583215);(135.0440518,4.495676259);(136.0518764,3.220286022);(137.059701,5.599118552);(139.0753502,1.510318286);(149.059701,3.257367559);(150.0675256,2.447119108);(151.0753502,4.274020314);(163.0753502,1.994663796);(164.0831748,2.609337878);(165.0909994,4.215249853);(166.098824,2.364517387);(192.0780889,2.288656255);(193.0859135,2.994105381);(209.0808276,1.504002235);(210.0886522,2.567269822)
Predicted GC-MS	GC-MS	Positive	Not Available	View Spectrum	(44.99710422,0.7377979487);(71.03115062,0.7274023283);(73.04679982,5.894576097);(75.02606472,3.209583844);(89.04171392,3.552172997);(90.04953852,1.199295243);(91.05736312,1.171081093);(117.036628,2.502401321);(143.0522772,0.9926415543);(144.0601018,0.7521346157);(145.0679264,1.244519226);(157.0679264,0.750366724);(159.0835756,1.369940828);(267.1230994,5.638967973);(268.1249694,1.415323494);(279.1230994,0.9979823571);(281.1387486,1.207442857);(293.1387486,4.86777875);(294.140745,1.33220243);(295.1543978,1.298412915);(309.170047,2.861997071);(310.1721057,0.8170191517);(325.1649611,0.7779984133);(337.1649611,1.799950261);(353.1598752,2.428352158);(354.1676998,2.522129441);(355.1698148,0.750498557);(355.1755244,1.324016649);(411.1837498,9.123938895);(412.1856007,3.388062208);(413.1835583,1.577598098)
Predicted GC-MS	GC-MS	Ei	Not Available	View Spectrum	(27.02292522,2.558768466);(41.03857442,1.039494713);(43.98927962,0.9907260677);(44.99710422,3.661607616);(58.00492882,1.020536475);(59.01275342,1.189832882);(60.02057802,0.9789636556);(71.01275342,1.453300535);(72.02057802,1.27256794);(73.02840262,2.027682261);(87.04405182,1.459204186);(109.0284026,2.231938276);(121.0284026,5.912536515);(122.0362272,1.842126986);(123.0440518,12.44821575);(124.0474536,0.9978163748);(124.0518764,1.140487542);(135.0440518,4.030746272);(136.0518764,2.154709395);(137.059701,5.631764488);(139.0753502,1.002895123);(149.059701,3.4956448);(150.0675256,1.365098925);(151.0753502,2.318285658);(163.0753502,1.334578075);(164.0831748,1.436885715);(165.0909994,1.738055591);(166.098824,1.153021955);(192.0780889,1.966154396);(193.0859135,1.153762069);(210.0886522,1.721609473)
Predicted LC-MS/MS	Not Available	Positive	low	View Spectrum	(41.03912516,0.2915579747);(55.05477522,0.2171143714);(61.0289544,0.3705053284);(69.03403978,0.4539645185);(71.04968984,0.2826777238);(73.0289544,0.3651180672);(83.04968984,0.4299967755);(85.0289544,0.3092513715);(85.06533991,0.3106327901);(87.04460446,0.9496347278);(97.0289544,0.2335552186);(99.04460446,0.3159579211);(101.0602545,0.8996328375);(103.0759046,0.2903002114);(109.0289544,1.592665675);(111.0446045,0.7229939081);(115.0759046,0.2139009782);(123.0446045,1.816420432);(125.0602545,0.6231128439);(135.0446045,0.274156891);(137.0602545,0.6597261877);(149.0602545,0.9363114383);(151.0759046,3.495053084);(163.0759046,1.172984118);(165.0915547,8.589701004);(167.1072047,0.9100763852);(175.0759046,4.430839106);(179.0708192,0.2853021793);(181.0864693,0.3047097526);(193.0864693,28.42022313);(211.097034,39.83192305)
Predicted LC-MS/MS	Not Available	Positive	med	View Spectrum	(41.03912516,3.55593085);(43.05477522,0.9032460227);(53.03912516,0.8807215067);(55.05477522,1.900441009);(69.03403978,1.358262539);(71.01330434,0.9279068349);(71.04968984,0.7985858184);(73.0289544,1.130404347);(83.04968984,0.9059017775);(85.0289544,0.7945301246);(87.04460446,2.484249584);(101.0602545,1.675722167);(109.0289544,3.325929679);(111.0446045,1.200167307);(123.0446045,7.42871327);(125.0602545,1.675716783);(133.0653399,1.182473222);(135.0446045,1.819085809);(135.08099,1.926635533);(137.0602545,2.360825609);(139.0759046,0.9225896829);(149.0602545,2.256300704);(151.0759046,8.050661421);(161.0602545,1.027951514);(163.0759046,2.746525981);(165.0915547,17.08289006);(167.1072047,1.642429517);(175.0759046,3.952702776);(181.0864693,1.664913435);(193.0864693,12.17047962);(211.097034,10.24710549)
Predicted LC-MS/MS	Not Available	Positive	high	View Spectrum	(27.0234751,4.407588595);(41.03912516,15.47787414);(43.05477522,3.885126935);(51.0234751,5.303796277);(53.03912516,3.640555829);(55.01838972,1.251792175);(55.05477522,5.114819706);(67.05477522,4.164132512);(69.03403978,1.165378012);(71.01330434,1.281738192);(73.0289544,1.823655384);(77.03912516,1.971794898);(79.01838972,1.922483991);(79.05477522,2.672740626);(91.05477522,2.138297271);(93.07042529,3.592062773);(103.0547752,1.235785067);(107.0860754,2.118713512);(109.0289544,8.636254251);(111.0446045,1.801034613);(119.0496898,1.705837408);(123.0446045,8.172798109);(133.0653399,2.320874634);(135.0446045,2.610941465);(135.08099,1.38116254);(137.0602545,1.583506619);(137.09664,1.121663219);(147.08099,2.479569847);(149.0602545,2.138326626);(151.0759046,1.714296248);(165.0915547,1.165398533)
Predicted LC-MS/MS	Not Available	Negative	low	View Spectrum	(17.00273965,0.231909527);(41.00273965,0.1968747167);(44.99765427,0.1604413148);(53.00273965,0.0348691793);(59.01330434,1.798030135);(61.0289544,0.0632986142);(73.0289544,0.0694755742);(87.04460446,0.0676733835);(101.0602545,0.036234889);(107.0860754,0.0373410065);(109.0289544,0.1517286373);(123.0446045,0.1049010328);(125.0602545,0.0362332593);(135.0446045,0.0458909983);(137.0602545,0.1270723131);(147.08099,0.3179212618);(149.0602545,0.2968585913);(151.0759046,0.184626916);(153.0915547,0.0486143002);(161.0602545,0.152845181);(163.0759046,0.8209090153);(165.0551691,0.044233519);(165.0915547,12.83866428);(167.0708192,0.2317856249);(173.0602545,0.0500453956);(177.0551691,0.0412874174);(179.0708192,0.2791810431);(183.0657338,0.1452523851);(191.0708192,4.366998138);(193.0500838,0.1181248523);(209.0813839,76.9006775)
Predicted LC-MS/MS	Not Available	Negative	med	View Spectrum	(17.00273965,0.3285796567);(41.00273965,0.6096230633);(44.99765427,1.167683213);(55.01838972,0.2611575708);(59.01330434,6.733875036);(73.0289544,0.2240563004);(107.0860754,0.3374260953);(109.0289544,0.4033752443);(123.0446045,0.4673507949);(123.08099,0.5177408212);(135.0446045,0.6277784114);(135.08099,0.4597636886);(137.0602545,0.6884826123);(147.0446045,0.523272151);(147.08099,1.047226176);(149.0602545,1.749291409);(151.0759046,1.178691336);(153.0915547,0.3397029169);(161.0602545,1.129062587);(163.0759046,2.942570806);(165.0551691,0.6554115644);(165.0915547,21.98401315);(167.0708192,1.436885115);(173.0602545,0.3932782723);(177.0551691,0.7624269578);(179.0708192,0.4628208272);(181.0500838,0.241920523);(183.0657338,0.3375488997);(191.0708192,6.896933737);(193.0500838,1.212153999);(209.0813839,43.87989706)
Predicted LC-MS/MS	Not Available	Negative	high	View Spectrum	(41.00273965,10.2101463);(41.03912516,1.022431177);(43.01838972,3.291813869);(44.99765427,4.787206838);(55.01838972,1.093239201);(59.01330434,31.08474973);(61.0289544,1.26035708);(69.03403978,0.8063176591);(97.0289544,0.8035595349);(107.0133043,0.8607792535);(109.0289544,3.337182958);(121.0289544,1.811099239);(123.0446045,3.146146652);(125.0602545,0.7490225126);(133.0289544,0.8286445246);(133.0653399,0.9177646179);(135.0446045,1.770168249);(135.08099,2.066861141);(137.0602545,1.832875398);(145.0653399,1.242392051);(147.0446045,1.012191168);(147.08099,3.06473928);(149.0602545,3.355481438);(161.0602545,3.077723087);(163.0395191,0.7590775965);(163.0759046,3.185542325);(165.0915547,4.479016207);(173.0602545,1.157015041);(179.0708192,0.9452319677);(191.0708192,4.467832482);(209.0813839,1.573391424)
Predicted LC-MS/MS	Not Available	Negative	low	View Spectrum	(209.08193,100.0);(209.08193,100.0);(209.08193,100.0);(209.08193,100.0);(209.08193,100.0);(209.08193,100.0);(209.08193,100.0)
Predicted LC-MS/MS	Not Available	Negative	medium	View Spectrum	(41.00329,17.17);(59.01385,39.45);(59.01385,39.45);(83.05024,33.26);(93.03459,25.91);(93.03459,25.91);(93.03459,25.91);(119.05024,11.23);(119.05024,11.23);(121.0295,92.85);(121.0295,92.85);(121.0295,92.85);(121.0295,92.85);(123.04515,51.14);(123.04515,51.14);(123.04515,51.14);(123.04515,51.14);(123.04515,51.14);(123.04515,51.14);(123.04515,51.14);(133.0295,14.35);(133.0295,14.35);(133.0295,14.35);(133.0295,14.35);(133.0295,14.35);(133.0295,14.35);(135.04515,22.6);(135.04515,22.6);(135.04515,22.6);(135.04515,22.6);(135.04515,22.6);(135.04515,22.6);(135.04515,22.6);(137.0608,73.99);(137.0608,73.99);(137.0608,73.99);(137.0608,73.99);(137.0608,73.99);(137.0608,73.99);(137.0608,73.99);(137.0608,73.99);(147.04515,10.86);(147.04515,10.86);(147.04515,10.86);(147.04515,10.86);(149.0608,21.97);(149.0608,21.97);(149.0608,21.97);(149.0608,21.97);(153.0921,10.13);(165.0921,43.92);(165.0921,43.92);(165.0921,43.92);(165.0921,43.92);(181.08702,10.97);(181.08702,10.97);(191.07137,35.24);(191.07137,35.24);(191.07137,35.24);(209.08193,100.0);(209.08193,100.0);(209.08193,100.0);(209.08193,100.0);(209.08193,100.0);(209.08193,100.0);(209.08193,100.0)
Predicted LC-MS/MS	Not Available	Negative	high	View Spectrum	(41.00329,44.44);(65.00329,12.52);(65.03967,21.6);(65.03967,21.6);(67.01894,41.78);(69.03459,14.86);(91.01894,12.61);(91.01894,12.61);(93.03459,68.73);(93.03459,68.73);(93.03459,68.73);(95.05024,19.78);(95.05024,19.78);(95.05024,19.78);(105.03459,20.66);(105.03459,20.66);(107.01385,9.36);(107.01385,9.36);(107.01385,9.36);(107.01385,9.36);(107.05024,13.57);(107.05024,13.57);(109.0295,12.34);(109.0295,12.34);(109.0295,12.34);(109.0295,12.34);(109.06589,25.16);(109.06589,25.16);(109.06589,25.16);(119.05024,19.18);(119.05024,19.18);(121.0295,100.0);(121.0295,100.0);(121.0295,100.0);(121.0295,100.0);(123.04515,92.98);(123.04515,92.98);(123.04515,92.98);(123.04515,92.98);(123.04515,92.98);(123.04515,92.98);(123.04515,92.98);(135.04515,36.9);(135.04515,36.9);(135.04515,36.9);(135.04515,36.9);(135.04515,36.9);(135.04515,36.9);(135.04515,36.9);(137.0608,28.02);(137.0608,28.02);(137.0608,28.02);(137.0608,28.02);(137.0608,28.02);(137.0608,28.02);(137.0608,28.02);(137.0608,28.02)
Predicted LC-MS/MS	Not Available	Positive	low	View Spectrum	(95.01276,6.03);(111.04406,3.6);(111.04406,3.6);(111.04406,3.6);(111.04406,3.6);(111.04406,3.6);(121.02841,8.51);(121.02841,8.51);(121.02841,8.51);(121.02841,8.51);(121.02841,8.51);(121.06479,3.79);(121.06479,3.79);(121.06479,3.79);(121.06479,3.79);(123.04406,20.55);(123.04406,20.55);(123.04406,20.55);(123.04406,20.55);(123.04406,20.55);(123.04406,20.55);(123.04406,20.55);(133.06479,4.98);(133.06479,4.98);(139.07536,7.46);(139.07536,7.46);(139.07536,7.46);(139.07536,7.46);(139.07536,7.46);(149.05971,4.11);(149.05971,4.11);(149.05971,4.11);(149.05971,4.11);(149.05971,4.11);(149.05971,4.11);(149.05971,4.11);(149.05971,4.11);(151.07536,47.3);(151.07536,47.3);(151.07536,47.3);(151.07536,47.3);(151.07536,47.3);(151.07536,47.3);(151.07536,47.3);(151.07536,47.3);(165.09101,4.46);(165.09101,4.46);(165.09101,4.46);(165.09101,4.46);(165.09101,4.46);(165.09101,4.46);(165.09101,4.46);(165.09101,4.46);(175.07536,5.03);(175.07536,5.03);(175.07536,5.03);(193.08592,33.58);(193.08592,33.58);(193.08592,33.58);(193.08592,33.58);(193.08592,33.58);(193.08592,33.58);(193.08592,33.58);(211.09649,100.0);(211.09649,100.0);(211.09649,100.0);(211.09649,100.0);(211.09649,100.0);(211.09649,100.0);(211.09649,100.0)
Predicted LC-MS/MS	Not Available	Positive	medium	View Spectrum	(41.03858,38.43);(53.03858,14.94);(55.05423,81.11);(69.03349,16.91);(71.04914,22.36);(81.03349,32.71);(83.04914,38.36);(85.06479,81.31);(95.04914,29.96);(95.04914,29.96);(95.04914,29.96);(107.04914,47.4);(107.04914,47.4);(107.04914,47.4);(107.04914,47.4);(109.02841,31.36);(109.02841,31.36);(109.02841,31.36);(109.02841,31.36);(111.04406,43.41);(111.04406,43.41);(111.04406,43.41);(111.04406,43.41);(111.04406,43.41);(121.02841,14.56);(121.02841,14.56);(121.02841,14.56);(121.02841,14.56);(121.02841,14.56);(123.04406,100.0);(123.04406,100.0);(123.04406,100.0);(123.04406,100.0);(123.04406,100.0);(123.04406,100.0);(123.04406,100.0);(125.05971,22.04);(125.05971,22.04);(125.05971,22.04);(125.05971,22.04);(125.05971,22.04);(125.05971,22.04);(125.05971,22.04);(125.05971,22.04);(131.04914,22.53);(131.04914,22.53);(133.06479,23.06);(133.06479,23.06);(135.04406,13.28);(135.04406,13.28);(135.04406,13.28);(135.04406,13.28);(135.04406,13.28);(135.04406,13.28);(135.04406,13.28);(135.04406,13.28);(137.05971,30.55);(137.05971,30.55);(137.05971,30.55);(137.05971,30.55);(137.05971,30.55);(137.05971,30.55);(137.05971,30.55);(137.05971,30.55);(137.05971,30.55);(139.07536,13.82);(139.07536,13.82);(139.07536,13.82);(139.07536,13.82);(139.07536,13.82);(145.06479,16.15);(145.06479,16.15);(147.04406,16.08);(149.05971,19.7);(149.05971,19.7);(149.05971,19.7);(149.05971,19.7);(149.05971,19.7);(149.05971,19.7);(149.05971,19.7);(149.05971,19.7);(151.07536,40.03);(151.07536,40.03);(151.07536,40.03);(151.07536,40.03);(151.07536,40.03);(151.07536,40.03);(151.07536,40.03);(151.07536,40.03);(163.07536,13.45);(163.07536,13.45);(163.07536,13.45);(163.07536,13.45);(163.07536,13.45);(163.07536,13.45);(163.07536,13.45);(165.09101,54.71);(165.09101,54.71);(165.09101,54.71);(165.09101,54.71);(165.09101,54.71);(165.09101,54.71);(165.09101,54.71);(165.09101,54.71);(175.07536,36.91);(175.07536,36.91);(175.07536,36.91);(183.10157,36.15);(183.10157,36.15);(193.08592,63.89);(193.08592,63.89);(193.08592,63.89);(193.08592,63.89);(193.08592,63.89);(193.08592,63.89);(193.08592,63.89);(211.09649,26.17);(211.09649,26.17);(211.09649,26.17);(211.09649,26.17);(211.09649,26.17);(211.09649,26.17);(211.09649,26.17)
Predicted LC-MS/MS	Not Available	Positive	high	View Spectrum	(41.03858,66.15);(43.05423,15.19);(51.02293,19.03);(53.03858,34.16);(55.05423,100.0);(65.03858,59.55);(67.05423,34.41);(67.05423,34.41);(77.03858,15.28);(77.03858,15.28);(79.05423,24.64);(79.05423,24.64);(79.05423,24.64);(81.03349,23.15);(91.05423,41.82);(91.05423,41.82);(91.05423,41.82);(93.03349,27.28);(93.03349,27.28);(93.06988,35.45);(93.06988,35.45);(93.06988,35.45);(95.04914,47.89);(95.04914,47.89);(95.04914,47.89);(107.04914,82.33);(107.04914,82.33);(107.04914,82.33);(107.04914,82.33);(109.02841,15.37);(109.02841,15.37);(109.02841,15.37);(109.02841,15.37);(113.05971,16.11);(113.05971,16.11);(113.05971,16.11);(113.05971,16.11);(115.07536,13.45);(115.07536,13.45);(115.07536,13.45);(117.03349,15.87);(117.03349,15.87);(119.04914,14.73);(119.04914,14.73);(121.06479,16.43);(121.06479,16.43);(121.06479,16.43);(121.06479,16.43);(123.04406,55.65);(123.04406,55.65);(123.04406,55.65);(123.04406,55.65);(123.04406,55.65);(123.04406,55.65);(123.04406,55.65);(125.05971,23.95);(125.05971,23.95);(125.05971,23.95);(125.05971,23.95);(125.05971,23.95);(125.05971,23.95);(125.05971,23.95);(125.05971,23.95);(131.04914,35.2);(131.04914,35.2);(133.06479,25.3);(133.06479,25.3);(137.05971,22.39);(137.05971,22.39);(137.05971,22.39);(137.05971,22.39);(137.05971,22.39);(137.05971,22.39);(137.05971,22.39);(137.05971,22.39);(137.05971,22.39);(145.06479,23.55);(145.06479,23.55);(147.08044,28.1);(147.08044,28.1);(149.05971,14.72);(149.05971,14.72);(149.05971,14.72);(149.05971,14.72);(149.05971,14.72);(149.05971,14.72);(149.05971,14.72);(149.05971,14.72);(165.09101,13.89);(165.09101,13.89);(165.09101,13.89);(165.09101,13.89);(165.09101,13.89);(165.09101,13.89);(165.09101,13.89);(165.09101,13.89)

Food Sources

No food source information available

Food Sources of its Food Phytochemical(s)

Food Phytochemical	Food Source	Food Source Group
(-)-Epicatechin	Almond	Nuts	Publications	Show
(-)-Epicatechin	Apple	Fruit, Pomes	Publications	Show
Procyanidin dimer B2	Apple	Fruit, Pomes	Publications	Show
(+)-Catechin	Apple	Fruit, Pomes	Publications	Show
(-)-Epicatechin	Apple cider	Beverages, Alcoholic	Publications	Show
Procyanidin dimer B2	Apple cider	Beverages, Alcoholic	Publications	Show
(+)-Catechin	Apple cider	Beverages, Alcoholic	Publications	Show
(-)-Epicatechin	Apple juice	Beverages, Non-alcoholic	Publications	Show
Procyanidin dimer B2	Apple juice	Beverages, Non-alcoholic	Publications	Show
(+)-Catechin	Apple juice	Beverages, Non-alcoholic	Publications	Show
(-)-Epicatechin	Apricot	Fruit, Drupes	Publications	Show
Procyanidin dimer B2	Apricot	Fruit, Drupes	Publications	Show
(+)-Catechin	Apricot	Fruit, Drupes	Publications	Show
(+)-Catechin	Banana	Fruit, Tropical fruits	Publications	Show
(-)-Epicatechin	Beer	Beverages, Alcoholic	Publications	Show
(+)-Catechin	Beer	Beverages, Alcoholic	Publications	Show
(-)-Epicatechin	Black tea	Teas and herbal teas	Publications	Show
Procyanidin dimer B2	Black tea	Teas and herbal teas	Publications	Show
(+)-Catechin	Black tea	Teas and herbal teas	Publications	Show
(-)-Epicatechin	Blackberry	Fruit, Berries	Publications	Show
Procyanidin dimer B2	Blackberry	Fruit, Berries	Publications	Show
(+)-Catechin	Blackberry	Fruit, Berries	Publications	Show
(-)-Epicatechin	Broad bean	Pulses and beans	Publications	Show
(+)-Catechin	Broad bean	Pulses and beans	Publications	Show
(-)-Epicatechin	Chocolate	Cocoa and cocoa products	Publications	Show
(+)-Catechin	Chocolate	Cocoa and cocoa products	Publications	Show
(-)-Epicatechin	Cider	Beverages, Alcoholic	Publications	Show
(-)-Epicatechin	Cocoa	Cocoa and cocoa products	Publications	Show
Procyanidin dimer B2	Cocoa	Cocoa and cocoa products	Publications	Show
(+)-Catechin	Cocoa	Cocoa and cocoa products	Publications	Show
(-)-Epicatechin	Cocoa bean	Cocoa and cocoa products	Publications	Show
Procyanidin dimer B2	Cocoa bean	Cocoa and cocoa products	Publications	Show
(+)-Catechin	Cocoa bean	Cocoa and cocoa products	Publications	Show
(-)-Epicatechin	Cocoa powder	Cocoa and cocoa products	Publications	Show
(-)-Epicatechin	Common chokecherry	Fruit, Drupes	Publications	Show
(-)-Epicatechin	Common walnut	Nuts	Publications	Show
(-)-Epicatechin	European cranberry	Fruit, Berries	Publications	Show
(-)-Epicatechin	European plum	Fruit, Drupes	Publications	Show
(+)-Catechin	European plum	Fruit, Drupes	Publications	Show
(-)-Epicatechin	Grape	Fruit, Berries	Publications	Show
(-)-Epicatechin	Green tea	Teas and herbal teas		Show
Procyanidin dimer B2	Green tea	Teas and herbal teas	Publications	Show
(+)-Catechin	Green tea	Teas and herbal teas	Publications	Show
(-)-Epicatechin	Peach	Fruit, Drupes	Publications	Show
(+)-Catechin	Peach	Fruit, Drupes	Publications	Show
(-)-Epicatechin	Pear	Fruit, Pomes	Publications	Show
(+)-Catechin	Pear	Fruit, Pomes	Publications	Show
(+)-Catechin	Pecan nut	Nuts	Publications	Show
(-)-Epicatechin	Pomegranate	Fruit, Tropical fruits	Publications	Show
(+)-Catechin	Red wine	Beverages, Alcoholic	Publications	Show
(-)-Epicatechin	Strawberry	Fruit, Berries	Publications	Show
(+)-Catechin	Strawberry	Fruit, Berries	Publications	Show
(-)-Epicatechin	Sweet cherry	Fruit, Drupes	Publications	Show
(+)-Catechin	Sweet cherry	Fruit, Drupes	Publications	Show
(-)-Epicatechin	Tea	Teas and herbal teas	Publications	Show

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
(-)-Epicatechin	5-(3',4'-dihydroxyphenyl)valeric acid	in vitro (human)	Not Available	gut microbiota metabolite	Not Available	Not Available	Not Available	C₁₁H₁₄O₄	210.089208931	Publications
Procyanidin dimer B2	5-(3',4'-dihydroxyphenyl)valeric acid	in vitro (human)	Not Available	gut microbiota metabolite	Not Available	Not Available	Not Available	C₁₁H₁₄O₄	210.089208931	Publications
(+)-Catechin	5-(3',4'-dihydroxyphenyl)valeric acid	human	Not Available	gut microbiota metabolite	Not Available	Not Available	Not Available	C₁₁H₁₄O₄	210.089208931	Publications

Inter-Individual Variations in Metabolism

	Food Phytochemical		Metabolite	Effect	Value

Back

Showing entry for 5-(3',4'-dihydroxyphenyl)valeric acid

Identification

Structure for 5-(3',4'-dihydroxyphenyl)valeric acid

Calculated Properties

External Links

Taxonomy as Metabolite

Taxonomy of its Food Phytochemical Precursor(s)

Classyfire Taxonomy

Spectra from Phytohub

Food Sources

Food Sources of its Food Phytochemical(s)

Role as Biomarker of intake

Metabolism

Inter-Individual Variations in Metabolism