Tricin
precursor
Showing entry for Tricin
Identification
- PhytoHub ID
- PHUB000910
- Name
- Tricin
- Systematic Name
- Not Available
- Synonyms
- Tricetin 3',5'-dimethyl ether
- CAS Number
- Not Available
- Average Mass
- 330.292
- Monoisotopic Mass
- 330.073952791
- Chemical Formula
- C17H14O7
- IUPAC Name
- 5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-4H-chromen-4-one
- InChI Key
- HRGUSFBJBOKSML-UHFFFAOYSA-N
- InChI Identifier
InChI=1S/C17H14O7/c1-22-14-3-8(4-15(23-2)17(14)21)12-7-11(20)16-10(19)5-9(18)6-13(16)24-12/h3-7,18-19,21H,1-2H3
- SMILES
COC1=CC(=CC(OC)=C1O)C1=CC(=O)C2=C(O)C=C(O)C=C2O1
- Structure
Structure for Tricin
Calculated Properties
- Solubility (ALOGPS)
- 5.96e-02 g/l
- LogS (ALOGPS)
- -3.74
- LogP (ALOGPS)
- 3.05
- Hydrogen Acceptors
- 7
- Hydrogen Donors
- 3
- Rotatable Bond Count
- 3
- Polar Surface Area
- 105.45000000000002
- Refractivity
- 85.8403
- Polarizability
- 32.7650438305156
- Formal Charge
- 0
- Physiological Charge
- -1
- pKa (strongest basic)
- -4.540443684853466
- pKa (strongest acidic)
- 6.5738458974424345
- Number of Rings
- 3
- Rule of Five
- Yes
- Bioavailability
- Yes
- Ghose Filter
- Yes
- Veber's Rule
- No
- MDDR-like Rule
- No
External Links
- ChEBI
- 59979
- PubChem
- 5281702
- Chemistry Dashboard
- DTXSID20199965
- KNApSAcK
- C00013329
- MetaboLights
- MTBLC59979
- Phenol-Explorer
- 817
- PeakForestCompound
- 000703
Taxonomy as Food Phytochemical
- Family
- Polyphenols
- Class
- Flavonoids
- Sub-class
- Flavones
Classyfire Taxonomy
- Kingdom Name
- Organic compounds
- Class
- Flavonoids
- Super-class
- Phenylpropanoids and polyketides
- Sub-class
- O-methylated flavonoids
- Direct Parent Name
- 3'-O-methylated flavonoids
- Alternative Parent Names
- ["1-hydroxy-2-unsubstituted benzenoids", "1-hydroxy-4-unsubstituted benzenoids", "4'-hydroxyflavonoids", "5-hydroxyflavonoids", "7-hydroxyflavonoids", "Alkyl aryl ethers", "Anisoles", "Chromones", "Dimethoxybenzenes", "Flavones", "Heteroaromatic compounds", "Hydrocarbon derivatives", "Methoxyphenols", "Organic oxides", "Oxacyclic compounds", "Phenoxy compounds", "Pyranones and derivatives", "Vinylogous acids"]
- External Descriptor Annotations
- ["Flavones and Flavonols", "dimethoxyflavone", "flavones", "trihydroxyflavone"]
- Substituent Names
- ["1-benzopyran", "1-hydroxy-2-unsubstituted benzenoid", "1-hydroxy-4-unsubstituted benzenoid", "3p-methoxyflavonoid-skeleton", "4'-hydroxyflavonoid", "5-hydroxyflavonoid", "7-hydroxyflavonoid", "Alkyl aryl ether", "Anisole", "Aromatic heteropolycyclic compound", "Benzenoid", "Benzopyran", "Chromone", "Dimethoxybenzene", "Ether", "Flavone", "Heteroaromatic compound", "Hydrocarbon derivative", "Hydroxyflavonoid", "M-dimethoxybenzene", "Methoxybenzene", "Methoxyphenol", "Monocyclic benzene moiety", "Organic oxide", "Organic oxygen compound", "Organoheterocyclic compound", "Organooxygen compound", "Oxacycle", "Phenol", "Phenol ether", "Phenoxy compound", "Pyran", "Pyranone", "Vinylogous acid"]
Spectra from Phytohub
| Spectrum Type | Instrument Type | Ion Mode | Collision Energy Level | View | Peaks | |
|---|---|---|---|---|---|---|
| Predicted GC-MS | GC-MS | Positive | Not Available | View Spectrum | (110.0362272,1.985658395);(136.0154921,3.196928571);(137.0233167,1.852317072);(150.0311413,3.39131366);(152.0104062,2.006882005);(152.0467905,3.978955015);(153.0182308,1.709523723);(153.0546151,2.691431031);(177.0546151,1.861306062);(178.0624397,3.563250618);(179.0702643,2.618766757);(202.0260554,2.572274435);(203.03388,1.895266682);(204.0417046,1.995409255);(260.0679171,1.762877424);(286.047182,3.132946549);(287.0550066,2.101584284);(288.0628312,4.804810631);(289.0706558,2.522842741);(298.047182,2.27671316);(299.0550066,2.051332905);(300.0628312,3.323103934);(301.0706558,1.849488383);(302.0784804,8.707360583);(312.0628312,5.649435151);(313.0706558,5.537403698);(314.0420961,2.65097773);(315.0499207,3.402228437);(329.0655699,2.240863047);(330.0733945,10.59960093);(331.076793,2.067147135) | |
| Predicted GC-MS | GC-MS | Positive | Not Available | View Spectrum | (73.04679982,4.82780207);(75.02606472,1.187998658);(115.0573631,2.678838169);(235.0784897,1.108304889);(250.1019635,0.9505693993);(251.1097881,2.581053805);(252.0996256,0.9005681269);(261.0577546,1.091936496);(265.0710659,2.38187093);(277.089053,2.534273165);(279.0867151,1.81344651);(280.0945397,1.33611645);(281.06598,1.769103758);(281.1023643,2.520950773);(297.0972784,1.746667952);(432.1418788,1.135874633);(433.1497034,1.472056194);(456.1418788,0.6772724515);(457.1497034,0.711713532);(472.1367929,0.8993227841);(473.1446175,3.641282132);(474.1469651,1.331630086);(474.1524421,3.809797282);(475.1547913,1.393828244);(475.1602667,1.754510867);(503.173578,0.6737316765);(518.1970518,1.089708133);(530.1606675,1.355867692);(531.1684921,9.365504153);(532.1705789,4.117318007);(533.1691632,1.932513978) | |
| Predicted GC-MS | GC-MS | Ei | Not Available | View Spectrum | (110.0362272,1.2416062);(136.0154921,4.930601393);(137.0233167,3.105355014);(150.0311413,1.999258214);(152.0467905,2.332790601);(153.0182308,1.073657471);(153.0546151,1.51032941);(178.0624397,2.080519898);(179.0702643,1.78160477);(202.0260554,1.767518364);(203.03388,1.411157248);(204.0417046,1.54860298);(205.0495292,1.085829853);(246.0522679,1.12247881);(260.0679171,1.23810592);(286.047182,2.098109921);(287.0550066,2.02934255);(288.0628312,2.49325236);(289.0706558,1.568829833);(298.047182,0.9286044879);(299.0550066,1.006874639);(300.0628312,1.611167164);(302.0784804,5.580923088);(303.0818799,1.02383375);(312.0628312,3.318197555);(313.0706558,3.175769649);(314.0420961,2.485668809);(315.0499207,3.22240506);(329.0655699,1.529062664);(330.0733945,7.347278434);(331.076793,1.432875225) | |
| LC-MS/MS | LC-ESI-QTOF | Positive | high | View Spectrum | (135.0438,0.01101101);(136.0156,0.01401401);(152.01,0.01101101);(153.0182,0.18518519);(154.0221,0.01501502);(163.0395,0.01901902);(168.0052,0.01301301);(203.0332,0.05905906);(213.0539,0.03603604);(214.0606,0.01901902);(216.0408,0.01501502);(217.0487,0.01401401);(229.0488,0.07307307);(230.0536,0.01001001);(241.0485,0.05605606);(242.0565,0.23323323);(243.06,0.03203203);(245.0436,0.05605606);(246.0466,0.01101101);(253.0486,0.02902903);(255.0282,0.01401401);(257.0435,0.05005005);(258.0514,0.42842843);(259.0556,0.07107107);(269.0437,0.06706707);(270.0513,0.19119119);(271.056,0.03703704);(273.0388,0.24524525);(274.0422,0.03503504);(285.0389,0.13613614);(286.0456,0.11311311);(287.0541,0.25025025);(288.0571,0.03503504);(299.054,0.03803804);(313.0336,0.22622623);(314.0369,0.03403403);(315.0493,1.0);(316.0529,0.16716717);(317.0548,0.02202202);(331.0445,0.02402402) | |
| LC-MS/MS | LC-ESI-QTOF | Negative | high | View Spectrum | (151.0041,0.09209209);(161.0246,0.18618619);(185.0244,0.12212212);(199.0409,0.08808809);(201.0203,0.06206206);(203.0364,0.14614615);(215.0353,0.17917918);(227.0357,0.1991992);(243.0296,0.20620621);(271.0252,1.0);(272.0282,0.13913914);(299.0195,0.13613614);(313.0343,0.04304304) | |
| LC-MS/MS | LC-ESI-QTOF | Positive | high | View Spectrum | (153.0183,0.01701702);(178.0259,0.01601602);(242.0566,0.08308308);(243.0602,0.01101101);(258.0517,0.0950951);(259.0554,0.01501502);(269.0434,0.01401401);(270.0517,0.33333333);(271.0549,0.05105105);(273.0388,0.09409409);(274.0419,0.01401401);(286.0468,0.18918919);(287.0537,0.14414414);(288.0574,0.02402402);(298.0466,0.01101101);(299.0543,0.03103103);(301.0337,0.02702703);(313.0336,0.02402402);(315.0496,1.0);(316.0539,0.21721722);(317.0562,0.02902903);(331.0811,0.0960961);(332.0837,0.01401401) | |
| LC-MS/MS | LC-ESI-QTOF | Negative | high | View Spectrum | (161.0241,0.1041041);(171.1031,0.03703704);(185.0252,0.03803804);(203.0352,0.08508509);(215.0355,0.04304304);(227.0347,0.20520521);(228.0386,0.04304304);(243.0297,0.0950951);(271.0251,1.0);(272.0281,0.14614615);(299.0201,0.94494494);(300.0233,0.15715716);(313.0355,0.06906907);(314.0423,0.08908909) | |
| LC-MS/MS | LC-ESI-QTOF | Positive | medium | View Spectrum | (315.0495,0.01001001);(316.0572,0.01901902);(331.0814,1.0);(332.0848,0.16916917);(333.0868,0.02602603) | |
| LC-MS/MS | LC-ESI-QTOF | Negative | medium | View Spectrum | (171.1025,0.03003003);(299.0201,0.10510511);(314.0433,0.68868869);(315.0472,0.10910911);(327.217,0.10910911);(328.2214,0.03203203);(329.067,1.0);(330.0701,0.18918919);(331.0723,0.02502503) | |
| LC-MS/MS | LC-ESI-QTOF | Positive | low | View Spectrum | (331.0812,1.0);(332.0844,0.17717718);(333.0865,0.02902903) | |
| LC-MS/MS | LC-ESI-QTOF | Negative | low | View Spectrum | (314.042,0.02102102);(327.2172,0.17017017);(328.2214,0.03403403);(329.0664,1.0);(330.07,0.20920921);(331.0726,0.03103103) | |
| LC-MS/MS | LC-ESI-QTOF | Positive | medium | View Spectrum | (178.0258,0.01501502);(270.052,0.1971972);(271.0552,0.02902903);(286.0468,0.07107107);(287.0539,0.06006006);(288.0575,0.01001001);(298.0468,0.01501502);(299.0542,0.01301301);(301.0338,0.01601602);(315.0497,0.51651652);(316.0562,0.27127127);(317.0595,0.04304304);(331.0811,1.0);(332.0844,0.17817818);(333.0868,0.02702703) | |
| LC-MS/MS | LC-ESI-QTOF | Negative | medium | View Spectrum | (171.1028,0.03203203);(271.0246,0.13413413);(299.0201,1.0);(300.023,0.16016016);(313.0358,0.04004004);(314.0437,0.56356356);(315.0463,0.11011011);(315.0694,0.03203203);(329.0677,0.1001001) | |
| LC-MS/MS | LC-ESI-QTOF | Positive | low | View Spectrum | (331.081,1.0);(332.084,0.178);(333.086,0.029) | |
| LC-MS/MS | LC-ESI-QTOF | Positive | medium | View Spectrum | (315.05,0.01);(316.057,0.019);(331.081,1.0);(332.085,0.169);(333.087,0.026) | |
| LC-MS/MS | LC-ESI-QTOF | Positive | medium | View Spectrum | (178.026,0.015);(270.052,0.197);(271.055,0.029);(286.047,0.071);(287.054,0.06);(288.058,0.01);(298.047,0.015);(299.054,0.013);(301.034,0.016);(315.05,0.516);(316.056,0.272);(317.06,0.043);(331.081,1.0);(332.084,0.178);(333.087,0.027) | |
| LC-MS/MS | LC-ESI-QTOF | Positive | high | View Spectrum | (153.018,0.017);(178.026,0.016);(242.057,0.083);(243.06,0.011);(258.052,0.095);(259.055,0.015);(269.043,0.014);(270.052,0.333);(271.055,0.051);(273.039,0.094);(274.042,0.014);(286.047,0.189);(287.054,0.144);(288.057,0.024);(298.047,0.011);(299.054,0.031);(301.034,0.027);(313.034,0.024);(315.05,1.0);(316.054,0.217);(317.056,0.029);(331.081,0.096);(332.084,0.014) | |
| LC-MS/MS | LC-ESI-QTOF | Negative | low | View Spectrum | (314.042,0.021);(327.217,0.17);(328.221,0.034);(329.066,1.0);(330.07,0.209);(331.073,0.031) | |
| LC-MS/MS | LC-ESI-QTOF | Negative | medium | View Spectrum | (171.102,0.03);(299.02,0.105);(314.043,0.689);(315.047,0.109);(327.217,0.109);(328.221,0.032);(329.067,1.0);(330.07,0.189);(331.072,0.025) | |
| LC-MS/MS | LC-ESI-QTOF | Negative | medium | View Spectrum | (171.103,0.032);(271.025,0.134);(299.02,1.0);(300.023,0.16);(313.036,0.04);(314.044,0.563);(315.046,0.11);(315.069,0.032);(329.068,0.1) | |
| LC-MS/MS | LC-ESI-QTOF | Negative | high | View Spectrum | (161.024,0.104);(171.103,0.037);(185.025,0.038);(203.035,0.085);(215.036,0.043);(227.035,0.205);(228.039,0.044);(243.03,0.095);(271.025,1.0);(272.028,0.146);(299.02,0.945);(300.023,0.158);(313.036,0.069);(314.042,0.089) | |
| LC-MS/MS | LC-ESI-QTOF | Positive | high | View Spectrum | (135.044,0.011);(136.016,0.014);(152.01,0.011);(153.018,0.186);(154.022,0.015);(163.04,0.019);(168.005,0.013);(203.033,0.059);(213.054,0.036);(214.061,0.019);(216.041,0.015);(217.049,0.014);(229.049,0.073);(230.054,0.01);(241.048,0.056);(242.056,0.233);(243.06,0.032);(245.044,0.056);(246.047,0.011);(253.049,0.029);(255.028,0.014);(257.044,0.05);(258.051,0.429);(259.056,0.071);(269.044,0.067);(270.051,0.191);(271.056,0.038);(273.039,0.245);(274.042,0.035);(285.039,0.136);(286.046,0.113);(287.054,0.25);(288.057,0.035);(299.054,0.038);(313.034,0.226);(314.037,0.034);(315.049,1.0);(316.053,0.167);(317.055,0.022);(331.044,0.025) | |
| LC-MS/MS | LC-ESI-QTOF | Negative | high | View Spectrum | (151.004,0.092);(161.025,0.186);(185.024,0.122);(199.041,0.088);(201.02,0.062);(203.036,0.146);(215.035,0.179);(227.036,0.199);(243.03,0.207);(271.025,1.0);(272.028,0.14);(299.02,0.136);(313.034,0.043) | |
| Predicted LC-MS/MS | Not Available | Positive | low | View Spectrum | (43.01838972,0.0323240689);(57.03403978,0.0577861744);(59.04968984,0.0126027922);(68.99765427,0.0127385927);(73.0289544,0.2397830964);(109.0289544,0.0019367988);(127.0395191,0.0081437306);(149.0602545,0.0007711771);(153.0187836,0.6948883191);(163.0395191,0.0005906024);(179.0708192,0.1989181165);(203.0344337,0.000687202);(205.0500838,0.0212587915);(229.0500838,0.0007574789);(243.0293483,0.00640393);(255.0293483,0.0015597773);(257.0449984,0.0025346671);(259.0606485,0.0469129276);(271.0606485,0.0136092127);(273.039913,0.1766549765);(275.0555631,0.0528705159);(283.0606485,0.019187116);(285.039913,0.0350757474);(289.0712131,0.065337028);(297.039913,0.0134869832);(301.0712131,0.1712777047);(301.0712131,0.7260299273);(313.0712131,2.131800533);(315.0504777,0.4777876033);(315.0504777,0.2646984033);(331.0817778,94.511586) | |
| Predicted LC-MS/MS | Not Available | Positive | med | View Spectrum | (43.01838972,0.0737740192);(57.03403978,0.2107114836);(59.04968984,0.2335673931);(68.99765427,0.1920249014);(73.0289544,0.5504913278);(81.03403978,0.0151947586);(109.0289544,0.009348478);(127.0395191,0.0166662166);(149.0602545,0.059200633);(153.0187836,1.078630164);(175.0395191,0.0218220657);(179.0708192,0.3392878451);(203.0344337,0.0555205814);(205.0500838,0.2874613949);(241.0500838,0.0199365475);(243.0293483,0.0400835106);(255.0293483,0.0167345529);(259.0606485,0.8209493323);(271.0606485,2.419501865);(273.039913,0.3492375628);(275.0555631,0.1142608842);(283.0606485,0.7906877446);(285.039913,0.2916777713);(289.0712131,0.8829999793);(297.039913,0.062264642);(301.0712131,16.40244113);(301.0712131,1.162748965);(313.0712131,3.300035892);(315.0504777,1.054594147);(315.0504777,0.5514201558);(331.0817778,68.57672405) | |
| Predicted LC-MS/MS | Not Available | Positive | high | View Spectrum | (43.01838972,1.706192863);(57.03403978,1.794010585);(68.99765427,3.677396353);(81.03403978,1.953115056);(85.0289544,3.237455171);(107.0496898,2.130197937);(109.0289544,4.187557554);(111.008219,1.819402426);(149.0602545,1.625295602);(153.0187836,13.64093133);(163.0395191,2.770431835);(175.0395191,1.093667844);(179.0708192,3.692207122);(203.0344337,1.380553919);(205.0500838,2.677696935);(229.0500838,2.530436964);(241.0500838,3.398524411);(243.0293483,1.903199527);(255.0293483,0.7413893181);(257.0449984,0.8852182116);(259.0606485,6.353074236);(271.0606485,1.4606938);(273.039913,2.832423874);(283.0606485,3.044808723);(285.039913,5.656362434);(289.0712131,2.720517094);(297.039913,3.680720726);(301.0712131,2.314535938);(313.0712131,6.670639415);(315.0504777,5.088016841);(331.0817778,3.333325959) | |
| Predicted LC-MS/MS | Not Available | Negative | low | View Spectrum | (15.0234751,0.0667002164);(29.00273965,0.0016205694);(41.00273965,0.0623437536);(55.01838972,0.1136732258);(57.03403978,0.0739449167);(71.01330434,0.0167302417);(83.01330434,0.0009932705);(107.0133043,0.0010239914);(125.023869,0.1983932245);(147.0446045,0.0003814627);(151.0031336,0.6425548516);(161.023869,0.0022755509);(177.0551691,0.26653152);(201.0187836,0.0010662085);(203.0344337,0.0207358043);(227.0344337,0.0014326232);(239.0344337,0.001226887);(257.0449984,0.1620813008);(261.0762985,0.0168456633);(269.0449984,0.0158039667);(271.0242629,0.005352745);(273.039913,0.0214383386);(281.0449984,0.0060231635);(283.0242629,0.0332541101);(287.0555631,0.1592769482);(295.0242629,0.0032025628);(299.0555631,0.2124906007);(299.0555631,0.2891547696);(311.0555631,0.7723048173);(313.0348276,1.01994598);(329.0661278,95.81119671) | |
| Predicted LC-MS/MS | Not Available | Negative | med | View Spectrum | (15.0234751,0.1762750323);(29.00273965,0.0902538476);(41.00273965,0.2822004427);(55.01838972,0.5638228659);(57.03403978,0.1023373539);(71.01330434,0.0478839562);(107.0133043,0.0360466021);(125.023869,1.373014008);(151.0031336,1.498222519);(161.023869,0.0386265875);(177.0551691,0.5348057499);(201.0187836,0.157879926);(203.0344337,0.5338942394);(227.0344337,0.1133804662);(241.0136983,0.2089758777);(243.0293483,0.1701212264);(257.0086129,0.239539822);(257.0449984,3.821468503);(261.0762985,0.0712600234);(269.0449984,0.659856498);(271.0242629,2.75201957);(273.039913,1.697455868);(281.0449984,0.0594393334);(283.0242629,1.354515374);(287.0555631,1.031722433);(295.0242629,0.0455101394);(299.0555631,2.004873029);(299.0555631,1.807255984);(311.0555631,1.467209644);(313.0348276,11.23172685);(329.0661278,65.82840622) | |
| Predicted LC-MS/MS | Not Available | Negative | high | View Spectrum | (41.00273965,1.516526281);(55.01838972,3.898656206);(65.00273965,0.9800587608);(71.01330434,0.8552303207);(83.01330434,3.636192548);(105.0340398,2.116155101);(107.0133043,1.240367227);(125.023869,2.233985702);(147.0446045,1.124863474);(151.0031336,8.14799263);(161.023869,2.410752667);(177.0551691,2.468461943);(201.0187836,4.211773662);(203.0344337,1.31994465);(215.0344337,2.186030619);(227.0344337,2.15123995);(239.0344337,1.324457721);(241.0136983,1.292627297);(243.0293483,0.7795862499);(245.0449984,2.276018301);(257.0086129,1.849068759);(257.0449984,8.894502838);(269.0449984,3.730020218);(271.0242629,3.971228155);(283.0242629,13.14408554);(287.0555631,2.115069346);(295.0242629,1.664809897);(299.0555631,2.681692777);(299.0555631,1.885381969);(313.0348276,11.5502397);(329.0661278,2.342979494) | |
| Predicted LC-MS/MS | Not Available | Negative | low | View Spectrum | (329.06667,100.0) | |
| Predicted LC-MS/MS | Not Available | Negative | medium | View Spectrum | (285.07684,4.0);(329.06667,100.0) | |
| Predicted LC-MS/MS | Not Available | Negative | high | View Spectrum | (107.01384,30.0);(151.00367,56.0);(219.06627,100.0);(245.08192,22.0);(255.06627,8.0);(261.07684,6.0);(285.07684,13.0);(329.06667,38.0) | |
| Predicted LC-MS/MS | Not Available | Positive | low | View Spectrum | (331.08122,100.0) | |
| Predicted LC-MS/MS | Not Available | Positive | medium | View Spectrum | (331.08122,100.0) | |
| Predicted LC-MS/MS | Not Available | Positive | high | View Spectrum | (153.01823,100.0);(155.03388,21.0);(179.07027,45.0);(183.06518,14.0);(257.08083,23.0);(271.06009,15.0);(331.08122,85.0) |
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 | ||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Tricin | Tricin | rat | plasma | unchanged | 1h-3h | 200-500 nmol/L | No data | C17H14O7 | 330.073952791 | Publications |
Inter-Individual Variations in Metabolism
| Food Phytochemical | Metabolite | Effect | Value |
|---|