1.0 2010-04-08 22:12:30 UTC 2018-05-29 01:27:08 UTC FDB016556 Stercurensin Isolated from Sterculia urens (karaya gum) 1-(2,4-Dihydroxy-6-methoxy-3-methylphenyl)-3-phenyl-2-propen-1-one 2',4'-Dihydroxy-6'-methoxy-3'-methylchalcone Stercurensin C17H16O4 284.3065 284.104859 (2E)-1-(2,4-dihydroxy-6-methoxy-3-methylphenyl)-3-phenylprop-2-en-1-one stercurensin 94388-75-7 COC1=C(C(=O)\C=C\C2=CC=CC=C2)C(O)=C(C)C(O)=C1 InChI=1S/C17H16O4/c1-11-14(19)10-15(21-2)16(17(11)20)13(18)9-8-12-6-4-3-5-7-12/h3-10,19-20H,1-2H3/b9-8+ JUZVHLGKYJTCKP-CMDGGOBGSA-N belongs to the class of organic compounds known as 2'-hydroxychalcones. These are organic compounds containing chalcone skeleton that carries a hydroxyl group at the 2'-position. 2'-Hydroxychalcones Organic compounds Phenylpropanoids and polyketides Linear 1,3-diarylpropanoids Chalcones and dihydrochalcones Aromatic homomonocyclic compounds 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Acryloyl compounds Alkyl aryl ethers Anisoles Aryl ketones Benzoyl derivatives Cinnamylphenols Enones Hydrocarbon derivatives Methoxybenzenes Methoxyphenols Organic oxides Ortho cresols Phenoxy compounds Resorcinols Styrenes Toluenes Vinylogous acids 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 2'-hydroxychalcone Acryloyl-group Alkyl aryl ether Alpha,beta-unsaturated ketone Anisole Aromatic homomonocyclic compound Aryl ketone Benzenoid Benzoyl Cinnamylphenol Enone Ether Hydrocarbon derivative Ketone Methoxybenzene Methoxyphenol Monocyclic benzene moiety O-cresol Organic oxide Organic oxygen compound Organooxygen compound Phenol Phenol ether Phenoxy compound Resorcinol Styrene Toluene Vinylogous acid Chalcones and dihydrochalcones chalcones monomethoxybenzene resorcinols logp 3.64 ALOGPS logs -3.43 ALOGPS solubility 1.06e-01 g/l ALOGPS melting_point Mp 210-211° logp 4.29 ChemAxon pka_strongest_acidic 8.22 ChemAxon pka_strongest_basic -4.9 ChemAxon iupac (2E)-1-(2,4-dihydroxy-6-methoxy-3-methylphenyl)-3-phenylprop-2-en-1-one ChemAxon average_mass 284.3065 ChemAxon mono_mass 284.104859 ChemAxon smiles COC1=C(C(=O)\C=C\C2=CC=CC=C2)C(O)=C(C)C(O)=C1 ChemAxon formula C17H16O4 ChemAxon inchi InChI=1S/C17H16O4/c1-11-14(19)10-15(21-2)16(17(11)20)13(18)9-8-12-6-4-3-5-7-12/h3-10,19-20H,1-2H3/b9-8+ ChemAxon inchikey JUZVHLGKYJTCKP-CMDGGOBGSA-N ChemAxon polar_surface_area 66.76 ChemAxon refractivity 82.34 ChemAxon polarizability 30.38 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 4 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 18820 Specdb::CMs 45418 Specdb::CMs 132649 Specdb::CMs 140383 Specdb::MsMs 66696 Specdb::MsMs 66697 Specdb::MsMs 66698 Specdb::MsMs 124320 Specdb::MsMs 124321 Specdb::MsMs 124322 Specdb::MsMs 2721870 Specdb::MsMs 2721871 Specdb::MsMs 2721872 Specdb::MsMs 2959566 Specdb::MsMs 2959567 Specdb::MsMs 2959568 HMDB37485 #<Reference:0x00007f093c0b09b8> #<Reference:0x00007f093c0b0800>