1.0 2010-04-08 22:10:22 UTC 2019-11-26 03:07:39 UTC FDB012806 2'-O-Methylphaseollinisoflavan From Phaseolus vulgaris (kidney bean). 2'-O-Methylphaseollinisoflavan is found in many foods, some of which are common bean, pulses, green bean, and yellow wax bean. 2'-Methoxyphaseollinisoflavan (incorr.) 2'-O-Methylphaseollinisoflavan C21H22O4 338.397 338.151809192 3-(5-methoxy-1,1-dimethyl-1H-isochromen-6-yl)-3,4-dihydro-2H-1-benzopyran-7-ol 3-(5-methoxy-1,1-dimethylisochromen-6-yl)-3,4-dihydro-2H-1-benzopyran-7-ol 49594-01-6 COC1=C(C=CC2=C1C=COC2(C)C)C1COC2=C(C1)C=CC(O)=C2 InChI=1S/C21H22O4/c1-21(2)18-7-6-16(20(23-3)17(18)8-9-25-21)14-10-13-4-5-15(22)11-19(13)24-12-14/h4-9,11,14,22H,10,12H2,1-3H3 FHUJPAOFRVLFNQ-UHFFFAOYSA-N belongs to the class of organic compounds known as 2'-o-methylated isoflavonoids. These are isoflavonoids with methoxy groups attached to the C2' atom of the isoflavonoid backbone. Isoflavonoids are natural products derived from 3-phenylchromen-4-one. 2'-O-methylated isoflavonoids Organic compounds Phenylpropanoids and polyketides Isoflavonoids O-methylated isoflavonoids Aromatic heteropolycyclic compounds 1-benzopyrans 1-hydroxy-2-unsubstituted benzenoids 2-benzopyrans Alkyl aryl ethers Anisoles Hydrocarbon derivatives Hydroxyisoflavonoids Isoflavanols Oxacyclic compounds 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 2-benzopyran 2p-methoxyisoflavonoid-skeleton Alkyl aryl ether Anisole Aromatic heteropolycyclic compound Benzenoid Benzopyran Chromane Ether Hydrocarbon derivative Hydroxyisoflavonoid Isochromene Isoflavan Isoflavanol Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle logp 4.42 ALOGPS logs -5.16 ALOGPS solubility 2.36e-03 g/l ALOGPS melting_point 27.5 oC logp 4.05 ChemAxon pka_strongest_acidic 9.78 ChemAxon pka_strongest_basic -4.4 ChemAxon iupac 3-(5-methoxy-1,1-dimethyl-1H-isochromen-6-yl)-3,4-dihydro-2H-1-benzopyran-7-ol ChemAxon average_mass 338.397 ChemAxon mono_mass 338.151809192 ChemAxon smiles COC1=C(C=CC2=C1C=COC2(C)C)C1COC2=C(C1)C=CC(O)=C2 ChemAxon formula C21H22O4 ChemAxon inchi InChI=1S/C21H22O4/c1-21(2)18-7-6-16(20(23-3)17(18)8-9-25-21)14-10-13-4-5-15(22)11-19(13)24-12-14/h4-9,11,14,22H,10,12H2,1-3H3 ChemAxon inchikey FHUJPAOFRVLFNQ-UHFFFAOYSA-N ChemAxon polar_surface_area 47.92 ChemAxon refractivity 97.47 ChemAxon polarizability 37.57 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 4 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 10708 Specdb::CMs 43865 Specdb::CMs 170633 Specdb::MsMs 46641 Specdb::MsMs 46642 Specdb::MsMs 46643 Specdb::MsMs 159582 Specdb::MsMs 159583 Specdb::MsMs 159584 Specdb::MsMs 2835267 Specdb::MsMs 2835268 Specdb::MsMs 2835269 Specdb::MsMs 2873015 Specdb::MsMs 2873016 Specdb::MsMs 2873017 HMDB34412 #<Reference:0x000055ce326bab10> Common bean Type 1 specific Phaseolus vulgaris 3885 Green bean Type 1 specific Phaseolus vulgaris 3885 Pulses Unknown generic Yellow wax bean Type 1 specific Phaseolus vulgaris 3885