1.0 2010-04-08 22:14:37 UTC 2019-11-26 03:17:54 UTC FDB019830 Calebin A Constituent of the rhizomes of Cucuma longa (turmeric). Calebin A is found in turmeric and herbs and spices. 4''-(3'''-methoxy-4'''-hydroxyphenyl)-2''-oxo-3''-enebutanyl 3-(3'-methoxy-4'-hydroxyphenyl)propenoate 4''-(3'''-methoxy-4'''-hydroxyphenyl)-2''-oxo-3''-enebutyl 3-(3'-methoxy-4'-hydroxyphenyl)propenoate C21H20O7 384.3793 384.120902994 (3E)-4-(4-hydroxy-3-methoxyphenyl)-2-oxobut-3-en-1-yl (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate (3E)-4-(4-hydroxy-3-methoxyphenyl)-2-oxobut-3-en-1-yl (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate COC1=C(O)C=CC(\C=C\C(=O)COC(=O)\C=C\C2=CC(OC)=C(O)C=C2)=C1 InChI=1S/C21H20O7/c1-26-19-11-14(4-8-17(19)23)3-7-16(22)13-28-21(25)10-6-15-5-9-18(24)20(12-15)27-2/h3-12,23-24H,13H2,1-2H3/b7-3+,10-6+ UYEWRTKHKAVRDI-ASVGJQBISA-N belongs to the class of organic compounds known as coumaric acids and derivatives. These are aromatic compounds containing Aromatic compounds containing a cinnamic acid moiety (or a derivative thereof) hydroxylated at the C2 (ortho-), C3 (meta-), or C4 (para-) carbon atom of the benzene ring. Coumaric acids and derivatives Organic compounds Phenylpropanoids and polyketides Cinnamic acids and derivatives Hydroxycinnamic acids and derivatives Aromatic homomonocyclic compounds 1-hydroxy-2-unsubstituted benzenoids Acryloyl compounds Alkyl aryl ethers Alpha-acyloxy ketones Anisoles Cinnamic acid esters Enoate esters Enones Fatty acid esters Hydrocarbon derivatives Ketones Methoxybenzenes Methoxyphenols Monocarboxylic acids and derivatives Organic oxides Phenoxy compounds Styrenes 1-hydroxy-2-unsubstituted benzenoid Acryloyl-group Alkyl aryl ether Alpha,beta-unsaturated carboxylic ester Alpha,beta-unsaturated ketone Alpha-acyloxy ketone Anisole Aromatic homomonocyclic compound Benzenoid Carbonyl group Carboxylic acid derivative Carboxylic acid ester Cinnamic acid ester Coumaric acid or derivatives Enoate ester Enone Ether Fatty acid ester Fatty acyl Hydrocarbon derivative Ketone Methoxybenzene Methoxyphenol Monocarboxylic acid or derivatives Monocyclic benzene moiety Organic oxide Organic oxygen compound Organooxygen compound Phenol Phenol ether Phenoxy compound Styrene logp 3.54 ALOGPS logs -4.69 ALOGPS solubility 7.80e-03 g/l ALOGPS melting_point Mp 138-139° logp 3.76 ChemAxon pka_strongest_acidic 9.35 ChemAxon pka_strongest_basic -4.5 ChemAxon iupac (3E)-4-(4-hydroxy-3-methoxyphenyl)-2-oxobut-3-en-1-yl (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate ChemAxon average_mass 384.3793 ChemAxon mono_mass 384.120902994 ChemAxon smiles COC1=C(O)C=CC(\C=C\C(=O)COC(=O)\C=C\C2=CC(OC)=C(O)C=C2)=C1 ChemAxon formula C21H20O7 ChemAxon inchi InChI=1S/C21H20O7/c1-26-19-11-14(4-8-17(19)23)3-7-16(22)13-28-21(25)10-6-15-5-9-18(24)20(12-15)27-2/h3-12,23-24H,13H2,1-2H3/b7-3+,10-6+ ChemAxon inchikey UYEWRTKHKAVRDI-ASVGJQBISA-N ChemAxon polar_surface_area 102.29 ChemAxon refractivity 104.77 ChemAxon polarizability 39.91 ChemAxon rotatable_bond_count 9 ChemAxon acceptor_count 6 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 15423 Specdb::CMs 46681 Specdb::CMs 151505 Specdb::MsMs 300163 Specdb::MsMs 300164 Specdb::MsMs 300165 Specdb::MsMs 342367 Specdb::MsMs 342368 Specdb::MsMs 342369 Specdb::MsMs 2387573 Specdb::MsMs 2387574 Specdb::MsMs 2387575 Specdb::MsMs 2578344 Specdb::MsMs 2578345 Specdb::MsMs 2578346 HMDB40134 #<Reference:0x00007f093c1bd838> #<Reference:0x00007f093c1bd680> Herbs and Spices Unknown generic Turmeric Type 1 specific Curcuma longa 136217 Anti amyloid-beta 109 Anti-Alzheimeran 105 Any substance introduced into a living organism with therapeutic or diagnostic purpose. Neuroprotective 1158 Any compound that can be used for the treatment of neurodegenerative disorders.