1.0 2010-04-08 22:09:53 UTC 2019-11-26 03:05:41 UTC FDB011896 Santal Constituent of Pterocarpus soyauxii. Santal is found in green vegetables. 3',4',5-Trihydroxy-7-methoxyisoflavone 5,3',4'-Trihydroxy-7-methoxyisoflavone Santal C16H12O6 300.2629 300.063388116 3-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-4H-chromen-4-one santal 529-60-2 COC1=CC(O)=C2C(=O)C(=COC2=C1)C1=CC(O)=C(O)C=C1 InChI=1S/C16H12O6/c1-21-9-5-13(19)15-14(6-9)22-7-10(16(15)20)8-2-3-11(17)12(18)4-8/h2-7,17-19H,1H3 OEYQBKYISMRWQB-UHFFFAOYSA-N belongs to the class of organic compounds known as 7-o-methylisoflavones. These are isoflavones with methoxy groups attached to the C7 atom of the isoflavone backbone. 7-O-methylisoflavones Organic compounds Phenylpropanoids and polyketides Isoflavonoids O-methylated isoflavonoids Aromatic heteropolycyclic compounds 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Alkyl aryl ethers Anisoles Benzene and substituted derivatives Catechols Chromones Heteroaromatic compounds Hydrocarbon derivatives Hydroxyisoflavonoids Isoflavones Organic oxides Oxacyclic compounds Pyranones and derivatives Vinylogous acids 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 7-o-methylisoflavone Alkyl aryl ether Anisole Aromatic heteropolycyclic compound Benzenoid Benzopyran Catechol Chromone Ether Heteroaromatic compound Hydrocarbon derivative Hydroxyisoflavonoid Isoflavone Monocyclic benzene moiety Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Phenol Pyran Pyranone Vinylogous acid Isoflavonoids logp 3.06 ALOGPS logs -3.62 ALOGPS solubility 7.16e-02 g/l ALOGPS melting_point Mp 222-223° logp 2.92 ChemAxon pka_strongest_acidic 8.3 ChemAxon pka_strongest_basic -4.7 ChemAxon iupac 3-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-4H-chromen-4-one ChemAxon average_mass 300.2629 ChemAxon mono_mass 300.063388116 ChemAxon smiles COC1=CC(O)=C2C(=O)C(=COC2=C1)C1=CC(O)=C(O)C=C1 ChemAxon formula C16H12O6 ChemAxon inchi InChI=1S/C16H12O6/c1-21-9-5-13(19)15-14(6-9)22-7-10(16(15)20)8-2-3-11(17)12(18)4-8/h2-7,17-19H,1H3 ChemAxon inchikey OEYQBKYISMRWQB-UHFFFAOYSA-N ChemAxon polar_surface_area 96.22 ChemAxon refractivity 78.15 ChemAxon polarizability 29.67 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 6 ChemAxon donor_count 3 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 25329 Specdb::CMs 43488 Specdb::CMs 159920 Specdb::MsMs 12581 Specdb::MsMs 12582 Specdb::MsMs 12583 Specdb::MsMs 19253 Specdb::MsMs 19254 Specdb::MsMs 19255 Specdb::MsMs 1479228 Specdb::MsMs 1479326 Specdb::MsMs 2666020 Specdb::MsMs 2666021 Specdb::MsMs 2666022 Specdb::MsMs 3012497 Specdb::MsMs 3012498 Specdb::MsMs 3012499 HMDB33760 #<Reference:0x00007f093c0981b0> Green vegetables Unknown generic