1.0 2010-04-08 22:12:20 UTC 2019-11-26 03:12:58 UTC FDB016263 5,8-Dihydroxy-3-(4-hydroxybenzyl)-7-methoxy-4-chromanone 8-acetate From Muscari comosum (tassel hyacinth). 5,8-Dihydroxy-3-(4-hydroxybenzyl)-7-methoxy-4-chromanone 8-acetate is found in herbs and spices. 5,8-Dihydroxy-3-(4-hydroxybenzyl)-7-methoxy-4-chromanone 8-acetate C19H18O7 358.342 358.10525293 5-hydroxy-3-[(4-hydroxyphenyl)methyl]-7-methoxy-4-oxo-3,4-dihydro-2H-1-benzopyran-8-yl acetate 5-hydroxy-3-[(4-hydroxyphenyl)methyl]-7-methoxy-4-oxo-2,3-dihydro-1-benzopyran-8-yl acetate 99877-75-5 COC1=C(OC(C)=O)C2=C(C(O)=C1)C(=O)C(CC1=CC=C(O)C=C1)CO2 InChI=1S/C19H18O7/c1-10(20)26-18-15(24-2)8-14(22)16-17(23)12(9-25-19(16)18)7-11-3-5-13(21)6-4-11/h3-6,8,12,21-22H,7,9H2,1-2H3 NXGGYXKVAVMQLL-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 Alkyl aryl ethers Anisoles Aryl alkyl ketones Benzene and substituted derivatives Carboxylic acid esters Chromones Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Oxacyclic compounds Vinylogous acids 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid Alkyl aryl ether Anisole Aromatic heteropolycyclic compound Aryl alkyl ketone Aryl ketone Benzenoid Benzopyran Carbonyl group Carboxylic acid derivative Carboxylic acid ester Chromane Chromone Ether Homoisoflavanone Hydrocarbon derivative Ketone Monocarboxylic acid or derivatives Monocyclic benzene moiety Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Phenol Vinylogous acid logp 3.12 ALOGPS logs -4.11 ALOGPS solubility 2.79e-02 g/l ALOGPS melting_point Mp 155-156° logp 2.93 ChemAxon pka_strongest_acidic 9.38 ChemAxon pka_strongest_basic -3.9 ChemAxon iupac 5-hydroxy-3-[(4-hydroxyphenyl)methyl]-7-methoxy-4-oxo-3,4-dihydro-2H-1-benzopyran-8-yl acetate ChemAxon average_mass 358.342 ChemAxon mono_mass 358.10525293 ChemAxon smiles COC1=C(OC(C)=O)C2=C(C(O)=C1)C(=O)C(CC1=CC=C(O)C=C1)CO2 ChemAxon formula C19H18O7 ChemAxon inchi InChI=1S/C19H18O7/c1-10(20)26-18-15(24-2)8-14(22)16-17(23)12(9-25-19(16)18)7-11-3-5-13(21)6-4-11/h3-6,8,12,21-22H,7,9H2,1-2H3 ChemAxon inchikey NXGGYXKVAVMQLL-UHFFFAOYSA-N ChemAxon polar_surface_area 102.29 ChemAxon refractivity 91.89 ChemAxon polarizability 35.66 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 6 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 22365 Specdb::CMs 45285 Specdb::CMs 134307 Specdb::CMs 142041 Specdb::MsMs 49806 Specdb::MsMs 49807 Specdb::MsMs 49808 Specdb::MsMs 143277 Specdb::MsMs 143278 Specdb::MsMs 143279 Specdb::MsMs 2403224 Specdb::MsMs 2403225 Specdb::MsMs 2403226 Specdb::MsMs 2535479 Specdb::MsMs 2535480 Specdb::MsMs 2535481 HMDB37252 #<Reference:0x000055ce3171c0c8> Herbs and Spices Unknown generic