1.0 2012-01-13 17:26:10 UTC 2015-07-21 07:01:33 UTC FDB029861 6'-Hydroxyangolensin A polyphenol metabolite detected in biological fluids [PhenolExplorer] C16H16O5 288.2952 288.099773622 2-(4-methoxyphenyl)-1-(2,4,6-trihydroxyphenyl)propan-1-one 2-(4-methoxyphenyl)-1-(2,4,6-trihydroxyphenyl)propan-1-one COC1=CC=C(C=C1)C(C)C(=O)C1=C(O)C=C(O)C=C1O InChI=1S/C16H16O5/c1-9(10-3-5-12(21-2)6-4-10)16(20)15-13(18)7-11(17)8-14(15)19/h3-9,17-19H,1-2H3 UDALNYNLNYDPMV-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. Alpha-methyldeoxybenzoin flavonoids Organic compounds Phenylpropanoids and polyketides Alpha-methyldeoxybenzoin flavonoids Aromatic homomonocyclic compounds 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Acylphloroglucinols and derivatives Alkyl aryl ethers Alkyl-phenylketones Anisoles Aryl alkyl ketones Benzoyl derivatives Hydrocarbon derivatives Methoxybenzenes Organic oxides Phenoxy compounds Phenylpropanes Polyols Stilbenes Vinylogous acids 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid Acylphloroglucinol derivative Alkyl aryl ether Alkyl-phenylketone Alpha-methyldeoxybenzoin flavonoid Anisole Aromatic homomonocyclic compound Aryl alkyl ketone Aryl ketone Benzenetriol Benzenoid Benzoyl Ether Hydrocarbon derivative Ketone Methoxybenzene Monocyclic benzene moiety Organic oxide Organic oxygen compound Organooxygen compound Phenol Phenol ether Phenoxy compound Phenylketone Phenylpropane Phloroglucinol derivative Polyol Stilbene Vinylogous acid logp 3.21 ALOGPS logs -3.55 ALOGPS solubility 8.21e-02 g/l ALOGPS logp 4.14 ChemAxon pka_strongest_acidic 7.95 ChemAxon pka_strongest_basic -4.6 ChemAxon iupac 2-(4-methoxyphenyl)-1-(2,4,6-trihydroxyphenyl)propan-1-one ChemAxon average_mass 288.2952 ChemAxon mono_mass 288.099773622 ChemAxon smiles COC1=CC=C(C=C1)C(C)C(=O)C1=C(O)C=C(O)C=C1O ChemAxon formula C16H16O5 ChemAxon inchi InChI=1S/C16H16O5/c1-9(10-3-5-12(21-2)6-4-10)16(20)15-13(18)7-11(17)8-14(15)19/h3-9,17-19H,1-2H3 ChemAxon inchikey UDALNYNLNYDPMV-UHFFFAOYSA-N ChemAxon polar_surface_area 86.99 ChemAxon refractivity 78.16 ChemAxon polarizability 28.91 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 5 ChemAxon donor_count 3 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 11381 Specdb::CMs 47479 Specdb::CMs 156774 Specdb::MsMs 291121 Specdb::MsMs 291122 Specdb::MsMs 291123 Specdb::MsMs 330946 Specdb::MsMs 330947 Specdb::MsMs 330948 Specdb::MsMs 2701354 Specdb::MsMs 2701355 Specdb::MsMs 2701356 Specdb::MsMs 3007625 Specdb::MsMs 3007626 Specdb::MsMs 3007627 HMDB41696 #<Reference:0x000055ce3209ece0>