1.0 2010-04-08 22:10:04 UTC 2019-11-26 03:06:29 UTC FDB012262 Isosativan Phytoalexin of Trifolium subspecies Isosativan is found in pulses. 2'-Hydroxy-4',7-dimethoxyisoflavan 2'-Hydroxy-7,4'-dimethoxyisoflavan Isosativan C17H18O4 286.3224 286.120509064 5-methoxy-2-(7-methoxy-3,4-dihydro-2H-1-benzopyran-3-yl)phenol isosativan 60102-29-6 COC1=CC(O)=C(C=C1)C1COC2=C(C1)C=CC(OC)=C2 InChI=1S/C17H18O4/c1-19-13-5-6-15(16(18)8-13)12-7-11-3-4-14(20-2)9-17(11)21-10-12/h3-6,8-9,12,18H,7,10H2,1-2H3 FWAWTPASGRNXTO-UHFFFAOYSA-N belongs to the class of organic compounds known as 7-o-methylated isoflavonoids. These are isoflavonoids with methoxy groups attached to the C7 atom of the isoflavonoid backbone. Isoflavonoids are natural products derived from 3-phenylchromen-4-one. 7-O-methylated isoflavonoids Organic compounds Phenylpropanoids and polyketides Isoflavonoids O-methylated isoflavonoids Aromatic heteropolycyclic compounds 1-benzopyrans 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids 4'-O-methylated isoflavonoids Alkyl aryl ethers Anisoles Hydrocarbon derivatives Hydroxyisoflavonoids Isoflavanols Methoxybenzenes Methoxyphenols Oxacyclic compounds Phenoxy compounds 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 4p-methoxyisoflavonoid 7-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 3.10 ALOGPS logs -4.21 ALOGPS solubility 1.76e-02 g/l ALOGPS logp 3.18 ChemAxon pka_strongest_acidic 9.78 ChemAxon pka_strongest_basic -4.4 ChemAxon iupac 5-methoxy-2-(7-methoxy-3,4-dihydro-2H-1-benzopyran-3-yl)phenol ChemAxon average_mass 286.3224 ChemAxon mono_mass 286.120509064 ChemAxon smiles COC1=CC(O)=C(C=C1)C1COC2=C(C1)C=CC(OC)=C2 ChemAxon formula C17H18O4 ChemAxon inchi InChI=1S/C17H18O4/c1-19-13-5-6-15(16(18)8-13)12-7-11-3-4-14(20-2)9-17(11)21-10-12/h3-6,8-9,12,18H,7,10H2,1-2H3 ChemAxon inchikey FWAWTPASGRNXTO-UHFFFAOYSA-N ChemAxon polar_surface_area 47.92 ChemAxon refractivity 79.91 ChemAxon polarizability 31.4 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 4 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 26600 Specdb::CMs 43659 Specdb::CMs 169078 Specdb::MsMs 86736 Specdb::MsMs 86737 Specdb::MsMs 86738 Specdb::MsMs 149100 Specdb::MsMs 149101 Specdb::MsMs 149102 Specdb::MsMs 1479276 Specdb::MsMs 1479374 Specdb::MsMs 2783863 Specdb::MsMs 2783864 Specdb::MsMs 2783865 Specdb::MsMs 2922418 Specdb::MsMs 2922419 Specdb::MsMs 2922420 HMDB34024 #<Reference:0x000055ce3246f9c8> Pulses Unknown generic