1.0 2010-04-08 22:10:00 UTC 2019-11-26 03:06:14 UTC FDB012124 Cajanol Isolated from fungus-infected stems of Cajanus cajan (pigeon pea). Cajanol is found in pigeon pea and pulses. 4',5-Dihydroxy-2',7-dimethoxyisoflavanone Cajanol C17H16O6 316.3053 316.094688244 5-hydroxy-3-(4-hydroxy-2-methoxyphenyl)-7-methoxy-3,4-dihydro-2H-1-benzopyran-4-one cajanol 61020-70-0 COC1=CC(O)=C2C(=O)C(COC2=C1)C1=C(OC)C=C(O)C=C1 InChI=1S/C17H16O6/c1-21-10-6-13(19)16-15(7-10)23-8-12(17(16)20)11-4-3-9(18)5-14(11)22-2/h3-7,12,18-19H,8H2,1-2H3 RYYWWFXWFMYKJM-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-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids 2'-O-methylated isoflavonoids Alkyl aryl ethers Anisoles Aryl alkyl ketones Chromones Hydrocarbon derivatives Hydroxyisoflavonoids Isoflavanols Isoflavanones Methoxybenzenes Methoxyphenols Organic oxides Oxacyclic compounds Phenoxy compounds Vinylogous acids 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 2p-methoxyisoflavonoid-skeleton 7-methoxyisoflavonoid-skeleton Alkyl aryl ether Anisole Aromatic heteropolycyclic compound Aryl alkyl ketone Aryl ketone Benzenoid Benzopyran Chromane Chromone Ether Hydrocarbon derivative Hydroxyisoflavonoid Isoflavan Isoflavanol Isoflavanone Ketone Methoxybenzene Methoxyphenol Monocyclic benzene moiety Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Phenol Phenol ether Phenoxy compound Vinylogous acid Isoflavonoids Isoflavonoids isoflavanones logp 2.78 ALOGPS logs -3.60 ALOGPS solubility 8.01e-02 g/l ALOGPS logp 2.72 ChemAxon pka_strongest_acidic 9.31 ChemAxon pka_strongest_basic -3.9 ChemAxon iupac 5-hydroxy-3-(4-hydroxy-2-methoxyphenyl)-7-methoxy-3,4-dihydro-2H-1-benzopyran-4-one ChemAxon average_mass 316.3053 ChemAxon mono_mass 316.094688244 ChemAxon smiles COC1=CC(O)=C2C(=O)C(COC2=C1)C1=C(OC)C=C(O)C=C1 ChemAxon formula C17H16O6 ChemAxon inchi InChI=1S/C17H16O6/c1-21-10-6-13(19)16-15(7-10)23-8-12(17(16)20)11-4-3-9(18)5-14(11)22-2/h3-7,12,18-19H,8H2,1-2H3 ChemAxon inchikey RYYWWFXWFMYKJM-UHFFFAOYSA-N ChemAxon polar_surface_area 85.22 ChemAxon refractivity 82.62 ChemAxon polarizability 31.68 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 6 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 15493 Specdb::CMs 43587 Specdb::CMs 171563 Specdb::MsMs 6977 Specdb::MsMs 6978 Specdb::MsMs 6979 Specdb::MsMs 13649 Specdb::MsMs 13650 Specdb::MsMs 13651 Specdb::MsMs 2376872 Specdb::MsMs 2376873 Specdb::MsMs 2376874 Specdb::MsMs 2562732 Specdb::MsMs 2562733 Specdb::MsMs 2562734 HMDB33924 #<Reference:0x000055ce320c22a8> #<Reference:0x000055ce320c20f0> Pigeon pea Type 1 specific Cajanus cajan 3821 Pulses Unknown generic