1.0 2012-01-13 17:25:53 UTC 2015-07-21 07:01:14 UTC FDB029802 2-Dehydro-O-desmethylangolensin A polyphenol metabolite detected in biological fluids [PhenolExplorer] C15H12O4 256.2534 256.073558872 1-(2,4-dihydroxyphenyl)-2-(4-hydroxyphenyl)prop-2-en-1-one 1-(2,4-dihydroxyphenyl)-2-(4-hydroxyphenyl)prop-2-en-1-one OC1=CC=C(C=C1)C(=C)C(=O)C1=C(O)C=C(O)C=C1 InChI=1S/C15H12O4/c1-9(10-2-4-11(16)5-3-10)15(19)13-7-6-12(17)8-14(13)18/h2-8,16-18H,1H2 MPNKZWIUITZJCR-UHFFFAOYSA-N belongs to the class of organic compounds known as stilbenes. These are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids. Stilbenes Organic compounds Phenylpropanoids and polyketides Stilbenes Aromatic homomonocyclic compounds 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Acryloyl compounds Alpha-branched alpha,beta-unsaturated ketones Aryl ketones Benzoyl derivatives Enones Hydrocarbon derivatives Organic oxides Resorcinols Styrenes Vinylogous acids 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid Acryloyl-group Alpha,beta-unsaturated ketone Alpha-branched alpha,beta-unsaturated-ketone Aromatic homomonocyclic compound Aryl ketone Benzenoid Benzoyl Enone Hydrocarbon derivative Ketone Monocyclic benzene moiety Organic oxide Organic oxygen compound Organooxygen compound Phenol Resorcinol Stilbene Styrene Vinylogous acid logp 2.98 ALOGPS logs -2.91 ALOGPS solubility 3.18e-01 g/l ALOGPS logp 3.69 ChemAxon pka_strongest_acidic 7.72 ChemAxon pka_strongest_basic -5.9 ChemAxon iupac 1-(2,4-dihydroxyphenyl)-2-(4-hydroxyphenyl)prop-2-en-1-one ChemAxon average_mass 256.2534 ChemAxon mono_mass 256.073558872 ChemAxon smiles OC1=CC=C(C=C1)C(=C)C(=O)C1=C(O)C=C(O)C=C1 ChemAxon formula C15H12O4 ChemAxon inchi InChI=1S/C15H12O4/c1-9(10-2-4-11(16)5-3-10)15(19)13-7-6-12(17)8-14(13)18/h2-8,16-18H,1H2 ChemAxon inchikey MPNKZWIUITZJCR-UHFFFAOYSA-N ChemAxon polar_surface_area 77.76 ChemAxon refractivity 71.5 ChemAxon polarizability 25.81 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 4 ChemAxon donor_count 3 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 11438 Specdb::CMs 47431 Specdb::CMs 158913 Specdb::MsMs 291256 Specdb::MsMs 291257 Specdb::MsMs 291258 Specdb::MsMs 331117 Specdb::MsMs 331118 Specdb::MsMs 331119 Specdb::MsMs 2792783 Specdb::MsMs 2792784 Specdb::MsMs 2792785 Specdb::MsMs 2916086 Specdb::MsMs 2916087 Specdb::MsMs 2916088 HMDB41647 #<Reference:0x000055ce32cfc460>