1.0 2020-02-10 19:45:24 UTC 2020-04-22 15:54:37 UTC BMDB0063667 BMDB63667 Tricetin 3',4',5,5',7-Pentahydroxyflavone 5,7,3',4',5'-Pentahydroxyflavone 5,7-Dihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-chromen-4-one 5,7,3,4,5-Pentahydroxyflavone 5,7-Dihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-1-benzopyran-4-one 5,7-Dihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-1-benzopyran-4-one, 9ci MYF C15H10O7 302.2357 302.042652674 5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-chromen-4-one tricetin 520-31-0 OC1=CC2=C(C(O)=C1)C(=O)C=C(O2)C1=CC(O)=C(O)C(O)=C1 InChI=1S/C15H10O7/c16-7-3-8(17)14-9(18)5-12(22-13(14)4-7)6-1-10(19)15(21)11(20)2-6/h1-5,16-17,19-21H ARSRJFRKVXALTF-UHFFFAOYSA-N belongs to the class of organic compounds known as flavones. These are flavonoids with a structure based on the backbone of 2-phenylchromen-4-one (2-phenyl-1-benzopyran-4-one). Organic compounds Phenylpropanoids and polyketides Flavonoids Flavones Flavones 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids 3'-hydroxyflavonoids 4'-hydroxyflavonoids 5-hydroxyflavonoids 7-hydroxyflavonoids Benzene and substituted derivatives Chromones Heteroaromatic compounds Hydrocarbon derivatives Organic oxides Oxacyclic compounds Polyols Pyranones and derivatives Pyrogallols and derivatives Vinylogous acids 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 3'-hydroxyflavonoid 4'-hydroxyflavonoid 5-hydroxyflavonoid 7-hydroxyflavonoid Aromatic heteropolycyclic compound Benzenetriol Benzenoid Benzopyran Chromone Flavone Heteroaromatic compound Hydrocarbon derivative Hydroxyflavonoid Monocyclic benzene moiety Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Phenol Polyol Pyran Pyranone Pyrogallol derivative Vinylogous acid Aromatic heteropolycyclic compounds Flavones and Flavonols Flavones and Flavonols flavones pentahydroxyflavone logp 2.29 ALOGPS logs -3.21 ALOGPS logp 2.1 ChemAxon pka_strongest_acidic 6.57 ChemAxon pka_strongest_basic -5.4 ChemAxon iupac 5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-chromen-4-one ChemAxon average_mass 302.2357 ChemAxon mono_mass 302.042652674 ChemAxon smiles OC1=CC2=C(C(O)=C1)C(=O)C=C(O2)C1=CC(O)=C(O)C(O)=C1 ChemAxon formula C15H10O7 ChemAxon inchi InChI=1S/C15H10O7/c16-7-3-8(17)14-9(18)5-12(22-13(14)4-7)6-1-10(19)15(21)11(20)2-6/h1-5,16-17,19-21H ChemAxon inchikey ARSRJFRKVXALTF-UHFFFAOYSA-N ChemAxon polar_surface_area 127.45 ChemAxon refractivity 76.88 ChemAxon polarizability 28.66 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 7 ChemAxon donor_count 5 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon number_of_rings 3 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::CMs 16750 Specdb::CMs 41478 Specdb::CMs 146630 Specdb::MsMs 109770 Specdb::MsMs 109771 Specdb::MsMs 109772 Specdb::MsMs 177285 Specdb::MsMs 177286 Specdb::MsMs 177287 Specdb::MsMs 285975 Specdb::MsMs 285976 Specdb::MsMs 285977 Specdb::MsMs 373758 Specdb::MsMs 373759 Specdb::MsMs 373760 Specdb::MsMs 439717 Specdb::MsMs 439718 Specdb::MsMs 439926 Specdb::MsMs 439927 Specdb::MsMs 440262 Specdb::MsMs 440263 Specdb::MsMs 449800 Specdb::MsMs 449801 Specdb::MsMs 450168 Specdb::MsMs 450169 Specdb::MsMs 2245044 Specdb::MsMs 2245075 Specdb::MsMs 2247097 Blood Samples collected from 16 multiparous Holstein cows Sun HZ, Wang DM, Wang B, Wang JK, Liu HY, Guan le L, Liu JX: Metabolomics of four biofluids from dairy cows: potential biomarkers for milk production and quality. J Proteome Res. 2015 Feb 6;14(2):1287-98. doi: 10.1021/pr501305g. Epub 2015 Jan 28. 25599412 FDB000790 5281701 507499 4445018 DB08230 C00013328 MYF C10192 CPD-12570 Tricetin