1.0 2010-04-08 22:13:32 UTC 2019-11-26 03:15:46 UTC FDB018152 Genistein 7-O-(2-p-coumaroylglucoside) Isolated from Trifolium repens (white clover). Genistein 7-O-(2-p-coumaroylglucoside) is found in tea, herbs and spices, and green vegetables. Genistein 7-O-(2-p-coumaroylglucoside) Genistein 7-O-(2''-p-coumaroylglucoside) C30H26O12 578.5202 578.142426296 4,5-dihydroxy-2-{[5-hydroxy-3-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl]oxy}-6-(hydroxymethyl)oxan-3-yl (2E)-3-(4-hydroxyphenyl)prop-2-enoate 4,5-dihydroxy-2-{[5-hydroxy-3-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxy}-6-(hydroxymethyl)oxan-3-yl (2E)-3-(4-hydroxyphenyl)prop-2-enoate 106915-84-8 OCC1OC(OC2=CC(O)=C3C(OC=C(C3=O)C3=CC=C(O)C=C3)=C2)C(OC(=O)\C=C\C2=CC=C(O)C=C2)C(O)C1O InChI=1S/C30H26O12/c31-13-23-27(37)28(38)29(42-24(35)10-3-15-1-6-17(32)7-2-15)30(41-23)40-19-11-21(34)25-22(12-19)39-14-20(26(25)36)16-4-8-18(33)9-5-16/h1-12,14,23,27-34,37-38H,13H2/b10-3+ NRJJZSQAAJJXTJ-XCVCLJGOSA-N belongs to the class of organic compounds known as isoflavonoid o-glycosides. These are o-glycosylated derivatives of isoflavonoids, which are natural products derived from 3-phenylchromen-4-one. Isoflavonoid O-glycosides Organic compounds Phenylpropanoids and polyketides Isoflavonoids Isoflavonoid O-glycosides Aromatic heteropolycyclic compounds 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Acetals Carbonyl compounds Chromones Cinnamic acid esters Coumaric acid esters Coumaric acids and derivatives Enoate esters Fatty acid esters Heteroaromatic compounds Hexoses Hydrocarbon derivatives Hydroxyisoflavonoids Isoflavones Monocarboxylic acids and derivatives O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Phenolic glycosides Primary alcohols Pyranones and derivatives Secondary alcohols Styrenes Vinylogous acids 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid Acetal Alcohol Alpha,beta-unsaturated carboxylic ester Aromatic heteropolycyclic compound Benzenoid Benzopyran Carbonyl group Carboxylic acid derivative Carboxylic acid ester Chromone Cinnamic acid ester Cinnamic acid or derivatives Coumaric acid ester Coumaric acid or derivatives Enoate ester Fatty acid ester Fatty acyl Glycosyl compound Heteroaromatic compound Hexose monosaccharide Hydrocarbon derivative Hydroxycinnamic acid or derivatives Hydroxyisoflavonoid Isoflavone Isoflavonoid o-glycoside Isoflavonoid-7-o-glycoside Monocarboxylic acid or derivatives Monocyclic benzene moiety Monosaccharide O-glycosyl compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Phenol Phenolic glycoside Primary alcohol Pyran Pyranone Secondary alcohol Styrene Vinylogous acid logp 2.88 ALOGPS logs -3.84 ALOGPS solubility 8.31e-02 g/l ALOGPS melting_point Mp 250-252° logp 3.54 ChemAxon pka_strongest_acidic 8.32 ChemAxon pka_strongest_basic -3 ChemAxon iupac 4,5-dihydroxy-2-{[5-hydroxy-3-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl]oxy}-6-(hydroxymethyl)oxan-3-yl (2E)-3-(4-hydroxyphenyl)prop-2-enoate ChemAxon average_mass 578.5202 ChemAxon mono_mass 578.142426296 ChemAxon smiles OCC1OC(OC2=CC(O)=C3C(OC=C(C3=O)C3=CC=C(O)C=C3)=C2)C(OC(=O)\C=C\C2=CC=C(O)C=C2)C(O)C1O ChemAxon formula C30H26O12 ChemAxon inchi InChI=1S/C30H26O12/c31-13-23-27(37)28(38)29(42-24(35)10-3-15-1-6-17(32)7-2-15)30(41-23)40-19-11-21(34)25-22(12-19)39-14-20(26(25)36)16-4-8-18(33)9-5-16/h1-12,14,23,27-34,37-38H,13H2/b10-3+ ChemAxon inchikey NRJJZSQAAJJXTJ-XCVCLJGOSA-N ChemAxon polar_surface_area 192.44 ChemAxon refractivity 145.38 ChemAxon polarizability 58.44 ChemAxon rotatable_bond_count 8 ChemAxon acceptor_count 11 ChemAxon donor_count 6 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 51255 Specdb::MsMs 51256 Specdb::MsMs 51257 Specdb::MsMs 156153 Specdb::MsMs 156154 Specdb::MsMs 156155 Specdb::MsMs 2280409 Specdb::MsMs 2280410 Specdb::MsMs 2280411 Specdb::MsMs 3084355 Specdb::MsMs 3084356 Specdb::MsMs 3084357 Specdb::CMs 17902 Specdb::CMs 46022 Specdb::CMs 282494 Specdb::CMs 385840 Specdb::CMs 385841 Specdb::CMs 385842 Specdb::CMs 385843 Specdb::CMs 385844 Specdb::CMs 385845 Specdb::CMs 385846 Specdb::CMs 385847 Specdb::CMs 385848 Specdb::CMs 385849 Specdb::CMs 385850 Specdb::CMs 385851 Specdb::CMs 385852 Specdb::CMs 385853 Specdb::CMs 385854 Specdb::CMs 385855 Specdb::CMs 385856 Specdb::CMs 385857 Specdb::CMs 385858 Specdb::CMs 385859 Specdb::CMs 385860 Specdb::CMs 385861 HMDB38741 #<Reference:0x000055ce306cc6a0> Black tea Type 1 Green tea Type 1 Green vegetables Unknown generic Herbal tea Type 1 Herbs and Spices Unknown generic Red tea Type 1 Tea Type 1 specific Camellia sinensis 4442