1.0 2016-09-30 23:09:54 UTC 2020-04-22 15:13:56 UTC BMDB0004629 BMDB04629 O-Desmethylangolensin 2',4'-Dihydroxy-2-(P-hydroxyphenyl)-propiophenone 2,4-Dihydroxyphenyl P-hydroxyphenethyl ketone O-Demethylangolensin O-Demethylangolesin O-Desmethylangolensin C15H14O4 258.2693 258.089208936 1-(2,4-dihydroxyphenyl)-2-(4-hydroxyphenyl)propan-1-one O-desmethylangolensin 21255-69-6 CC(C(=O)C1=C(O)C=C(O)C=C1)C1=CC=C(O)C=C1 InChI=1S/C15H14O4/c1-9(10-2-4-11(16)5-3-10)15(19)13-7-6-12(17)8-14(13)18/h2-9,16-18H,1H3 JDJPNKPFDDUBFV-UHFFFAOYSA-N belongs to the class of organic compounds known as alpha-methyldeoxybenzoin flavonoids. These are flavonoids with a structure based on a 1,2-diphenyl-2-propan-2-one. Organic compounds Phenylpropanoids and polyketides Alpha-methyldeoxybenzoin flavonoids Alpha-methyldeoxybenzoin flavonoids 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Alkyl-phenylketones Aryl alkyl ketones Benzoyl derivatives Hydrocarbon derivatives Organic oxides Phenylpropanes Resorcinols Stilbenes Vinylogous acids 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid Alkyl-phenylketone Alpha-methyldeoxybenzoin flavonoid Aromatic homomonocyclic compound Aryl alkyl ketone Aryl ketone Benzenoid Benzoyl Hydrocarbon derivative Ketone Monocyclic benzene moiety Organic oxide Organic oxygen compound Organooxygen compound Phenol Phenylketone Phenylpropane Resorcinol Stilbene Vinylogous acid Aromatic homomonocyclic compounds Solid logp 2.98 ALOGPS logs -3.49 ALOGPS logp 3.65 ChemAxon pka_strongest_acidic 7.83 ChemAxon pka_strongest_basic -4.9 ChemAxon iupac 1-(2,4-dihydroxyphenyl)-2-(4-hydroxyphenyl)propan-1-one ChemAxon average_mass 258.2693 ChemAxon mono_mass 258.089208936 ChemAxon smiles CC(C(=O)C1=C(O)C=C(O)C=C1)C1=CC=C(O)C=C1 ChemAxon formula C15H14O4 ChemAxon inchi InChI=1S/C15H14O4/c1-9(10-2-4-11(16)5-3-10)15(19)13-7-6-12(17)8-14(13)18/h2-9,16-18H,1H3 ChemAxon inchikey JDJPNKPFDDUBFV-UHFFFAOYSA-N ChemAxon polar_surface_area 77.76 ChemAxon refractivity 71.7 ChemAxon polarizability 26.38 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 4 ChemAxon donor_count 3 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon number_of_rings 2 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::CMs 18683 Specdb::CMs 38774 Specdb::CMs 132368 Specdb::CMs 140102 Specdb::MsMs 53490 Specdb::MsMs 53491 Specdb::MsMs 53492 Specdb::MsMs 120639 Specdb::MsMs 120640 Specdb::MsMs 120641 Specdb::MsMs 2759318 Specdb::MsMs 2759319 Specdb::MsMs 2759320 Specdb::MsMs 2949828 Specdb::MsMs 2949829 Specdb::MsMs 2949830 FDB023387 88902 89472 80750 O-Desmethylangolensin Salakka, A.; Wahala, K. Synthesis of a-methyldeoxybenzoins. Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1999), (18), 2601-2604.