1.0 2010-04-08 22:10:04 UTC 2019-11-26 03:06:28 UTC FDB012246 4',7-Dihydroxy-2'-methoxy-3'-prenylisoflavan Isolated from stems of Vigna unguiculata as a phytoalexin. 4',7-Dihydroxy-2'-methoxy-3'-prenylisoflavan is found in pulses and cowpea. 2'-O-Methylphaseollidinisoflavan 4',7-Dihydroxy-2'-methoxy-3'-prenylisoflavan C21H24O4 340.4129 340.167459256 3-[4-hydroxy-2-methoxy-3-(3-methylbut-2-en-1-yl)phenyl]-3,4-dihydro-2H-1-benzopyran-7-ol 3-[4-hydroxy-2-methoxy-3-(3-methylbut-2-en-1-yl)phenyl]-3,4-dihydro-2H-1-benzopyran-7-ol 56257-28-4 COC1=C(C=CC(O)=C1CC=C(C)C)C1COC2=C(C1)C=CC(O)=C2 InChI=1S/C21H24O4/c1-13(2)4-7-18-19(23)9-8-17(21(18)24-3)15-10-14-5-6-16(22)11-20(14)25-12-15/h4-6,8-9,11,15,22-23H,7,10,12H2,1-3H3 ZEJRFMCOSHZBRD-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 Alkyl aryl ethers Anisoles Hydrocarbon derivatives Hydroxyisoflavonoids Isoflavanols Methoxybenzenes Methoxyphenols Oxacyclic compounds Phenoxy compounds 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 2p-methoxyisoflavonoid-skeleton Alkyl aryl ether Anisole Aromatic heteropolycyclic compound Benzenoid Benzopyran Chromane Ether Hydrocarbon derivative Hydroxyisoflavonoid Isoflavan Isoflavanol Methoxybenzene Methoxyphenol Monocyclic benzene moiety Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Phenol Phenol ether Phenoxy compound Isoflavans logp 4.07 ALOGPS logs -4.82 ALOGPS solubility 5.18e-03 g/l ALOGPS logp 4.76 ChemAxon pka_strongest_acidic 9.33 ChemAxon pka_strongest_basic -4.6 ChemAxon iupac 3-[4-hydroxy-2-methoxy-3-(3-methylbut-2-en-1-yl)phenyl]-3,4-dihydro-2H-1-benzopyran-7-ol ChemAxon average_mass 340.4129 ChemAxon mono_mass 340.167459256 ChemAxon smiles COC1=C(C=CC(O)=C1CC=C(C)C)C1COC2=C(C1)C=CC(O)=C2 ChemAxon formula C21H24O4 ChemAxon inchi InChI=1S/C21H24O4/c1-13(2)4-7-18-19(23)9-8-17(21(18)24-3)15-10-14-5-6-16(22)11-20(14)25-12-15/h4-6,8-9,11,15,22-23H,7,10,12H2,1-3H3 ChemAxon inchikey ZEJRFMCOSHZBRD-UHFFFAOYSA-N ChemAxon polar_surface_area 58.92 ChemAxon refractivity 99.67 ChemAxon polarizability 38.54 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 4 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 21417 Specdb::CMs 43645 Specdb::CMs 154566 Specdb::MsMs 10472 Specdb::MsMs 10473 Specdb::MsMs 10474 Specdb::MsMs 17144 Specdb::MsMs 17145 Specdb::MsMs 17146 Specdb::MsMs 2455060 Specdb::MsMs 2455061 Specdb::MsMs 2455062 Specdb::MsMs 2479732 Specdb::MsMs 2479733 Specdb::MsMs 2479734 HMDB34010 #<Reference:0x000055ce31e5ba78> Cowpea Type 1 specific Vigna unguiculata 3917 Pulses Unknown generic