1.0 2010-04-08 22:09:35 UTC 2019-11-26 03:04:49 UTC FDB011322 3-(3,4-Dihydroxybenzyl)-7-hydroxy-5-methoxy-4-chromanone Constituent of Muscari subspecies 3-(3,4-Dihydroxybenzyl)-7-hydroxy-5-methoxy-4-chromanone is found in herbs and spices. 3-(3,4-Dihydroxybenzyl)-7-hydroxy-5-methoxy-4-chromanone C17H16O6 316.3053 316.094688244 3-[(3,4-dihydroxyphenyl)methyl]-7-hydroxy-5-methoxy-3,4-dihydro-2H-1-benzopyran-4-one 3-[(3,4-dihydroxyphenyl)methyl]-7-hydroxy-5-methoxy-2,3-dihydro-1-benzopyran-4-one 107585-72-8 COC1=C2C(=O)C(CC3=CC(O)=C(O)C=C3)COC2=CC(O)=C1 InChI=1S/C17H16O6/c1-22-14-6-11(18)7-15-16(14)17(21)10(8-23-15)4-9-2-3-12(19)13(20)5-9/h2-3,5-7,10,18-20H,4,8H2,1H3 MEVZQUMOUGNZRF-UHFFFAOYSA-N belongs to the class of organic compounds known as homoisoflavanones. These are homoisoflavonoids with a structure based on the chromanone system. Chromanone is a bicyclic compound consisting of a 3,4-dihydro-1-benzopyran, which bears a ketone group at the 4-position. Homoisoflavanones Organic compounds Phenylpropanoids and polyketides Homoisoflavonoids Homoisoflavans Aromatic heteropolycyclic compounds 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Alkyl aryl ethers Anisoles Aryl alkyl ketones Benzene and substituted derivatives Catechols Chromones Hydrocarbon derivatives Organic oxides Oxacyclic compounds 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid Alkyl aryl ether Anisole Aromatic heteropolycyclic compound Aryl alkyl ketone Aryl ketone Benzenoid Benzopyran Catechol Chromane Chromone Ether Homoisoflavanone Hydrocarbon derivative Ketone Monocyclic benzene moiety Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Phenol logp 2.67 ALOGPS logs -3.65 ALOGPS solubility 7.16e-02 g/l ALOGPS logp 2.36 ChemAxon pka_strongest_acidic 7.84 ChemAxon pka_strongest_basic -4.6 ChemAxon iupac 3-[(3,4-dihydroxyphenyl)methyl]-7-hydroxy-5-methoxy-3,4-dihydro-2H-1-benzopyran-4-one ChemAxon average_mass 316.3053 ChemAxon mono_mass 316.094688244 ChemAxon smiles COC1=C2C(=O)C(CC3=CC(O)=C(O)C=C3)COC2=CC(O)=C1 ChemAxon formula C17H16O6 ChemAxon inchi InChI=1S/C17H16O6/c1-22-14-6-11(18)7-15-16(14)17(21)10(8-23-15)4-9-2-3-12(19)13(20)5-9/h2-3,5-7,10,18-20H,4,8H2,1H3 ChemAxon inchikey MEVZQUMOUGNZRF-UHFFFAOYSA-N ChemAxon polar_surface_area 96.22 ChemAxon refractivity 82.74 ChemAxon polarizability 31.07 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 6 ChemAxon donor_count 3 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 11634 Specdb::CMs 43212 Specdb::CMs 151265 Specdb::MsMs 103515 Specdb::MsMs 103516 Specdb::MsMs 103517 Specdb::MsMs 169572 Specdb::MsMs 169573 Specdb::MsMs 169574 Specdb::MsMs 2333519 Specdb::MsMs 2333520 Specdb::MsMs 2333521 Specdb::MsMs 2632118 Specdb::MsMs 2632119 Specdb::MsMs 2632120 HMDB33298 #<Reference:0x000055ce3183f810> Herbs and Spices Unknown generic