1.0 2010-04-08 22:09:48 UTC 2019-11-26 03:05:23 UTC FDB011753 Genistein 4'-rhamnoside Constituent of Pithecellobium dulce (manila tamarino). Genistein 4'-rhamnoside is found in fruits. Genistein 4'-rhamnoside C21H20O9 416.3781 416.110732238 5,7-dihydroxy-3-{4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]phenyl}-4H-chromen-4-one 5,7-dihydroxy-3-{4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]phenyl}chromen-4-one CC1OC(OC2=CC=C(C=C2)C2=COC3=CC(O)=CC(O)=C3C2=O)C(O)C(O)C1O InChI=1S/C21H20O9/c1-9-17(24)19(26)20(27)21(29-9)30-12-4-2-10(3-5-12)13-8-28-15-7-11(22)6-14(23)16(15)18(13)25/h2-9,17,19-24,26-27H,1H3 ALDGJOZWDGSBIY-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 Acetals Chromones Heteroaromatic compounds Hexoses Hydrocarbon derivatives Hydroxyisoflavonoids Isoflavones O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Phenol ethers Phenolic glycosides Phenoxy compounds Polyols Pyranones and derivatives Secondary alcohols Vinylogous acids 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid Acetal Alcohol Aromatic heteropolycyclic compound Benzenoid Benzopyran Chromone Glycosyl compound Heteroaromatic compound Hexose monosaccharide Hydrocarbon derivative Hydroxyisoflavonoid Isoflavone Isoflavonoid o-glycoside Isoflavonoid-4p-o-glycoside 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 Pyran Pyranone Secondary alcohol Vinylogous acid logp 1.49 ALOGPS logs -3.02 ALOGPS solubility 4.00e-01 g/l ALOGPS melting_point Mp 301-302° logp 1.86 ChemAxon pka_strongest_acidic 6.61 ChemAxon pka_strongest_basic -3.6 ChemAxon iupac 5,7-dihydroxy-3-{4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]phenyl}-4H-chromen-4-one ChemAxon average_mass 416.3781 ChemAxon mono_mass 416.110732238 ChemAxon smiles CC1OC(OC2=CC=C(C=C2)C2=COC3=CC(O)=CC(O)=C3C2=O)C(O)C(O)C1O ChemAxon formula C21H20O9 ChemAxon inchi InChI=1S/C21H20O9/c1-9-17(24)19(26)20(27)21(29-9)30-12-4-2-10(3-5-12)13-8-28-15-7-11(22)6-14(23)16(15)18(13)25/h2-9,17,19-24,26-27H,1H3 ChemAxon inchikey ALDGJOZWDGSBIY-UHFFFAOYSA-N ChemAxon polar_surface_area 145.91 ChemAxon refractivity 102.28 ChemAxon polarizability 41.38 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 9 ChemAxon donor_count 5 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 12280 Specdb::CMs 43413 Specdb::CMs 134229 Specdb::CMs 141963 Specdb::MsMs 87804 Specdb::MsMs 87805 Specdb::MsMs 87806 Specdb::MsMs 150393 Specdb::MsMs 150394 Specdb::MsMs 150395 Specdb::MsMs 2273538 Specdb::MsMs 2273539 Specdb::MsMs 2273540 Specdb::MsMs 3069288 Specdb::MsMs 3069289 Specdb::MsMs 3069290 HMDB33651 #<Reference:0x000055ce318010b0> Fruits Unknown generic