1.0 2010-04-08 22:15:14 UTC 2019-11-26 03:19:23 UTC FDB020749 Heteroflavanone A Isolated from the root bark of Artocarpus heterophyllus (jackfruit). Heteroflavanone A is found in jackfruit and fruits. 5-Hydroxy-2',4',6',7-tetramethoxyflavone Heteroflavanone A C19H20O7 360.3579 360.120902994 5-hydroxy-7-methoxy-2-(2,4,6-trimethoxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-one heteroflavanone A 151171-28-7 COC1=CC(O)=C2C(=O)CC(OC2=C1)C1=C(OC)C=C(OC)C=C1OC InChI=1S/C19H20O7/c1-22-10-5-12(20)18-13(21)9-17(26-16(18)8-10)19-14(24-3)6-11(23-2)7-15(19)25-4/h5-8,17,20H,9H2,1-4H3 JEXUYOSYJIRTIF-UHFFFAOYSA-N belongs to the class of organic compounds known as 7-o-methylated flavonoids. These are flavonoids with methoxy groups attached to the C7 atom of the flavonoid backbone. 7-O-methylated flavonoids Organic compounds Phenylpropanoids and polyketides Flavonoids O-methylated flavonoids Aromatic heteropolycyclic compounds 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids 2'-O-methylated flavonoids 4'-O-methylated flavonoids 5-hydroxyflavonoids Alkyl aryl ethers Anisoles Aryl alkyl ketones Chromones Flavanones Hydrocarbon derivatives Methoxybenzenes Organic oxides Oxacyclic compounds Phenoxy compounds Vinylogous acids 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 2p-methoxyflavonoid-skeleton 4p-methoxyflavonoid-skeleton 5-hydroxyflavonoid 7-methoxyflavonoid-skeleton Alkyl aryl ether Anisole Aromatic heteropolycyclic compound Aryl alkyl ketone Aryl ketone Benzenoid Benzopyran Chromane Chromone Ether Flavan Flavanone Hydrocarbon derivative Hydroxyflavonoid Ketone Methoxybenzene Monocyclic benzene moiety Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Phenol ether Phenoxy compound Vinylogous acid Flavanones logp 2.07 ALOGPS logs -3.79 ALOGPS solubility 5.88e-02 g/l ALOGPS melting_point Mp 184° logp 2.81 ChemAxon pka_strongest_acidic 9.89 ChemAxon pka_strongest_basic -3.9 ChemAxon iupac 5-hydroxy-7-methoxy-2-(2,4,6-trimethoxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-one ChemAxon average_mass 360.3579 ChemAxon mono_mass 360.120902994 ChemAxon smiles COC1=CC(O)=C2C(=O)CC(OC2=C1)C1=C(OC)C=C(OC)C=C1OC ChemAxon formula C19H20O7 ChemAxon inchi InChI=1S/C19H20O7/c1-22-10-5-12(20)18-13(21)9-17(26-16(18)8-10)19-14(24-3)6-11(23-2)7-15(19)25-4/h5-8,17,20H,9H2,1-4H3 ChemAxon inchikey JEXUYOSYJIRTIF-UHFFFAOYSA-N ChemAxon polar_surface_area 83.45 ChemAxon refractivity 93.18 ChemAxon polarizability 37.04 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 7 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 16842 Specdb::CMs 47026 Specdb::CMs 159336 Specdb::MsMs 303226 Specdb::MsMs 303227 Specdb::MsMs 303228 Specdb::MsMs 346132 Specdb::MsMs 346133 Specdb::MsMs 346134 Specdb::MsMs 3003253 Specdb::MsMs 3003254 Specdb::MsMs 3003255 HMDB40910 #<Reference:0x000055ce3051c3c8> Fruits Unknown generic Jackfruit Type 1 specific Artocarpus heterophyllus 3489