1.0 2010-04-08 22:10:03 UTC 2025-11-18 23:35:04 UTC FDB012224 Biochanin A 7-glucoside Constituent of Cicer arietinum (chickpea). Biochanin A 7-glucoside is found in chickpea. Astroside Biochanin A 7-glucoside BIOCHANIN a 7-O-b-D-glucopyranoside Biochanin A 7-O-beta-D-glucoside Biochanin a-7-O-beta-D-glucoside Biochanin a-7-O-glucoside Sissotrin C22H22O10 446.4041 446.121296924 5-hydroxy-3-(4-methoxyphenyl)-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-4-one 5-hydroxy-3-(4-methoxyphenyl)-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}chromen-4-one 5928-26-7 COC1=CC=C(C=C1)C1=COC2=CC(OC3OC(CO)C(O)C(O)C3O)=CC(O)=C2C1=O InChI=1S/C22H22O10/c1-29-11-4-2-10(3-5-11)13-9-30-15-7-12(6-14(24)17(15)18(13)25)31-22-21(28)20(27)19(26)16(8-23)32-22/h2-7,9,16,19-24,26-28H,8H2,1H3 LFEUICHQZGNOHD-UHFFFAOYSA-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 4'-O-methylisoflavones Acetals Alkyl aryl ethers Anisoles Chromones Heteroaromatic compounds Hexoses Hydrocarbon derivatives Hydroxyisoflavonoids Isoflavones Methoxybenzenes O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Phenolic glycosides Phenoxy compounds Polyols Primary alcohols Pyranones and derivatives Secondary alcohols Vinylogous acids 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 4p-o-methylisoflavone Acetal Alcohol Alkyl aryl ether Anisole Aromatic heteropolycyclic compound Benzenoid Benzopyran Chromone Ether Glycosyl compound Heteroaromatic compound Hexose monosaccharide Hydrocarbon derivative Hydroxyisoflavonoid Isoflavone Isoflavonoid o-glycoside Isoflavonoid-7-o-glycoside Methoxybenzene Monocyclic benzene moiety Monosaccharide O-glycosyl compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Phenol ether Phenolic glycoside Phenoxy compound Polyol Primary alcohol Pyran Pyranone Secondary alcohol Vinylogous acid an isoflavone-7-O-&beta;-D-glucoside logp 0.71 ALOGPS logs -2.86 ALOGPS solubility 6.23e-01 g/l ALOGPS melting_point Mp 223-224.5° logp 0.95 ChemAxon pka_strongest_acidic 8.48 ChemAxon pka_strongest_basic -3 ChemAxon iupac 5-hydroxy-3-(4-methoxyphenyl)-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-4-one ChemAxon average_mass 446.4041 ChemAxon mono_mass 446.121296924 ChemAxon smiles COC1=CC=C(C=C1)C1=COC2=CC(OC3OC(CO)C(O)C(O)C3O)=CC(O)=C2C1=O ChemAxon formula C22H22O10 ChemAxon inchi InChI=1S/C22H22O10/c1-29-11-4-2-10(3-5-11)13-9-30-15-7-12(6-14(24)17(15)18(13)25)31-22-21(28)20(27)19(26)16(8-23)32-22/h2-7,9,16,19-24,26-28H,8H2,1H3 ChemAxon inchikey LFEUICHQZGNOHD-UHFFFAOYSA-N ChemAxon polar_surface_area 155.14 ChemAxon refractivity 108.31 ChemAxon polarizability 44.31 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 10 ChemAxon donor_count 5 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 13127 Specdb::CMs 43628 Specdb::CMs 174077 Specdb::MsMs 9407 Specdb::MsMs 9408 Specdb::MsMs 9409 Specdb::MsMs 12371 Specdb::MsMs 12372 Specdb::MsMs 12373 Specdb::MsMs 16079 Specdb::MsMs 16080 Specdb::MsMs 16081 Specdb::MsMs 19043 Specdb::MsMs 19044 Specdb::MsMs 19045 Specdb::MsMs 439403 Specdb::MsMs 439405 Specdb::MsMs 439407 Specdb::MsMs 449430 Specdb::MsMs 449433 Specdb::MsMs 449435 Specdb::MsMs 2236475 Specdb::MsMs 2236888 Specdb::MsMs 2240667 Specdb::MsMs 2240787 Specdb::MsMs 2241009 Specdb::MsMs 2242790 Specdb::MsMs 2243067 HMDB33990 #<Reference:0x000055ce30617138> Chickpea Type 1 specific Cicer arietinum 3827