1.0 2010-04-08 22:09:33 UTC 2019-11-26 03:04:45 UTC FDB011276 Comosin Constituent of Muscari comosum (tassel hyacinth). Comosin is found in herbs and spices. 3-[(Acetyloxy)methyl]-2,3-dihydro-5,7-dihydroxy-3-(3-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one, 9CI C19H18O8 374.3414 374.100167552 [5,7-dihydroxy-3-(3-hydroxy-4-methoxyphenyl)-4-oxo-3,4-dihydro-2H-1-benzopyran-3-yl]methyl acetate [5,7-dihydroxy-3-(3-hydroxy-4-methoxyphenyl)-4-oxo-2H-1-benzopyran-3-yl]methyl acetate 99877-69-7 COC1=C(O)C=C(C=C1)C1(COC(C)=O)COC2=CC(O)=CC(O)=C2C1=O InChI=1S/C19H18O8/c1-10(20)26-8-19(11-3-4-15(25-2)13(22)5-11)9-27-16-7-12(21)6-14(23)17(16)18(19)24/h3-7,21-23H,8-9H2,1-2H3 IOLHWMMZYCBLRD-UHFFFAOYSA-N belongs to the class of organic compounds known as 3'-hydroxy,4'-methoxyisoflavonoids. These are isoflavonoids carrying a methoxy group attached to the C4' atom, as well as a hydroxyl group at the C3'-position of the isoflavonoid backbone. 3'-hydroxy,4'-methoxyisoflavonoids 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 Aryl alkyl ketones Carboxylic acid esters Chromones Hydrocarbon derivatives Hydroxyisoflavonoids Isoflavanols Isoflavanones Methoxybenzenes Methoxyphenols Monocarboxylic acids and derivatives Organic oxides Oxacyclic compounds Phenoxy compounds Vinylogous acids 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 3'-hydroxy,4'-methoxyisoflavonoid 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 Hydrocarbon derivative Hydroxyisoflavonoid Isoflavan Isoflavanol Isoflavanone Ketone Methoxybenzene Methoxyphenol Monocarboxylic acid or derivatives Monocyclic benzene moiety Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Phenol Phenol ether Phenoxy compound Vinylogous acid logp 2.56 ALOGPS logs -3.75 ALOGPS solubility 6.64e-02 g/l ALOGPS logp 2.29 ChemAxon pka_strongest_acidic 7.88 ChemAxon pka_strongest_basic -3.9 ChemAxon iupac [5,7-dihydroxy-3-(3-hydroxy-4-methoxyphenyl)-4-oxo-3,4-dihydro-2H-1-benzopyran-3-yl]methyl acetate ChemAxon average_mass 374.3414 ChemAxon mono_mass 374.100167552 ChemAxon smiles COC1=C(O)C=C(C=C1)C1(COC(C)=O)COC2=CC(O)=CC(O)=C2C1=O ChemAxon formula C19H18O8 ChemAxon inchi InChI=1S/C19H18O8/c1-10(20)26-8-19(11-3-4-15(25-2)13(22)5-11)9-27-16-7-12(21)6-14(23)17(16)18(19)24/h3-7,21-23H,8-9H2,1-2H3 ChemAxon inchikey IOLHWMMZYCBLRD-UHFFFAOYSA-N ChemAxon polar_surface_area 122.52 ChemAxon refractivity 93.57 ChemAxon polarizability 36.63 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 7 ChemAxon donor_count 3 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 17381 Specdb::CMs 43174 Specdb::CMs 170928 Specdb::MsMs 73668 Specdb::MsMs 73669 Specdb::MsMs 73670 Specdb::MsMs 132894 Specdb::MsMs 132895 Specdb::MsMs 132896 Specdb::MsMs 3035519 Specdb::MsMs 3035520 Specdb::MsMs 3035521 Specdb::MsMs 3105179 Specdb::MsMs 3105180 Specdb::MsMs 3105181 HMDB33254 #<Reference:0x000055ce322fc398> Herbs and Spices Unknown generic