1.0 2010-04-08 22:14:47 UTC 2019-11-26 03:18:26 UTC FDB020081 7-Hydroxy-1,7-bis(4-hydroxy-3-methoxyphenyl)-1-heptene-3,5-dione Constituent of Curcuma xanthorrhiza (Java turmeric). 7-Hydroxy-1,7-bis(4-hydroxy-3-methoxyphenyl)-1-heptene-3,5-dione is found in herbs and spices, beverages, and root vegetables. C21H22O7 386.3952 386.136553058 (1Z)-7-hydroxy-1,7-bis(4-hydroxy-3-methoxyphenyl)hept-1-ene-3,5-dione (1Z)-7-hydroxy-1,7-bis(4-hydroxy-3-methoxyphenyl)hept-1-ene-3,5-dione 112494-43-6 COC1=C(O)C=CC(\C=C/C(=O)CC(=O)CC(O)C2=CC(OC)=C(O)C=C2)=C1 InChI=1S/C21H22O7/c1-27-20-9-13(4-7-17(20)24)3-6-15(22)11-16(23)12-19(26)14-5-8-18(25)21(10-14)28-2/h3-10,19,24-26H,11-12H2,1-2H3/b6-3- NKDVMZOMVJQUDC-UTCJRWHESA-N belongs to the class of organic compounds known as curcuminoids. These are aromatic compounds containing a curcumin moiety, which is composed of two aryl buten-2-one (feruloyl) chromophores joined by a methylene group. Curcuminoids Organic compounds Phenylpropanoids and polyketides Diarylheptanoids Linear diarylheptanoids Aromatic homomonocyclic compounds 1-hydroxy-2-unsubstituted benzenoids Acryloyl compounds Alkyl aryl ethers Anisoles Aromatic alcohols Beta-diketones Beta-hydroxy ketones Enones Fatty alcohols Gingerdiones Hydrocarbon derivatives Hydroxycinnamic acids and derivatives Methoxybenzenes Organic oxides Phenoxy compounds Secondary alcohols Styrenes 1,3-dicarbonyl compound 1,3-diketone 1-hydroxy-2-unsubstituted benzenoid Acryloyl-group Alcohol Alkyl aryl ether Alpha,beta-unsaturated ketone Anisole Aromatic alcohol Aromatic homomonocyclic compound Benzenoid Beta-hydroxy ketone Carbonyl group Curcumin Enone Ether Fatty acyl Fatty alcohol Gingerdione Hydrocarbon derivative Hydroxycinnamic acid or derivatives Ketone Methoxybenzene Methoxyphenol Monocyclic benzene moiety Organic oxide Organic oxygen compound Organooxygen compound Phenol Phenol ether Phenoxy compound Secondary alcohol Styrene logp 2.94 ALOGPS logs -4.82 ALOGPS solubility 5.80e-03 g/l ALOGPS melting_point Mp 92-96° (84-88°) logp 2.97 ChemAxon pka_strongest_acidic 9.08 ChemAxon pka_strongest_basic -3.1 ChemAxon iupac (1Z)-7-hydroxy-1,7-bis(4-hydroxy-3-methoxyphenyl)hept-1-ene-3,5-dione ChemAxon average_mass 386.3952 ChemAxon mono_mass 386.136553058 ChemAxon smiles COC1=C(O)C=CC(\C=C/C(=O)CC(=O)CC(O)C2=CC(OC)=C(O)C=C2)=C1 ChemAxon formula C21H22O7 ChemAxon inchi InChI=1S/C21H22O7/c1-27-20-9-13(4-7-17(20)24)3-6-15(22)11-16(23)12-19(26)14-5-8-18(25)21(10-14)28-2/h3-10,19,24-26H,11-12H2,1-2H3/b6-3- ChemAxon inchikey NKDVMZOMVJQUDC-UTCJRWHESA-N ChemAxon polar_surface_area 113.29 ChemAxon refractivity 104.08 ChemAxon polarizability 39.27 ChemAxon rotatable_bond_count 9 ChemAxon acceptor_count 7 ChemAxon donor_count 3 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 20749 Specdb::CMs 46750 Specdb::CMs 151606 Specdb::CMs 173330 Specdb::CMs 279844 Specdb::MsMs 312226 Specdb::MsMs 312227 Specdb::MsMs 312228 Specdb::MsMs 357427 Specdb::MsMs 357428 Specdb::MsMs 357429 Specdb::MsMs 2408603 Specdb::MsMs 2408604 Specdb::MsMs 2408605 Specdb::MsMs 2554210 Specdb::MsMs 2554211 Specdb::MsMs 2554212 HMDB40355 #<Reference:0x000055ce32c30d10> Beverages Unknown generic Herbs and Spices Unknown generic Root vegetables Unknown generic