1.0 2010-04-08 22:11:24 UTC 2019-11-26 03:10:35 UTC FDB014675 Oryzanol A From rice bran oil (Oryza sativa). Oryzanol A is found in cereals and cereal products, rice, and fats and oils. Cycloartenol ferulic acid ester Oryzanol A C40H58O4 602.8861 602.433510344 7,7,12,16-tetramethyl-15-(6-methylhept-5-en-2-yl)pentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecan-6-yl (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate 7,7,12,16-tetramethyl-15-(6-methylhept-5-en-2-yl)pentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecan-6-yl (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate 11042-64-1 COC1=CC(\C=C\C(=O)OC2CCC34CC33CCC5(C)C(CCC5(C)C3CCC4C2(C)C)C(C)CCC=C(C)C)=CC=C1O InChI=1S/C40H58O4/c1-26(2)10-9-11-27(3)29-18-20-38(7)33-16-15-32-36(4,5)34(19-21-39(32)25-40(33,39)23-22-37(29,38)6)44-35(42)17-13-28-12-14-30(41)31(24-28)43-8/h10,12-14,17,24,27,29,32-34,41H,9,11,15-16,18-23,25H2,1-8H3/b17-13+ FODTZLFLDFKIQH-GHRIWEEISA-N belongs to the class of organic compounds known as cycloartanols and derivatives. These are steroids containing a cycloartanol moiety. Cycloartanols and derivatives Organic compounds Lipids and lipid-like molecules Steroids and steroid derivatives Cycloartanols and derivatives Aromatic homopolycyclic compounds 1-hydroxy-2-unsubstituted benzenoids Alkyl aryl ethers Anisoles Carbonyl compounds Cinnamic acid esters Coumaric acids and derivatives Enoate esters Fatty acid esters Hydrocarbon derivatives Methoxybenzenes Methoxyphenols Monocarboxylic acids and derivatives Organic oxides Phenoxy compounds Steroid esters Styrenes Triterpenoids 1-hydroxy-2-unsubstituted benzenoid 9b,19-cyclo-lanostane-skeleton Alkyl aryl ether Alpha,beta-unsaturated carboxylic ester Anisole Aromatic homopolycyclic compound Benzenoid Carbonyl group Carboxylic acid derivative Carboxylic acid ester Cinnamic acid ester Cinnamic acid or derivatives Coumaric acid or derivatives Cycloartane-skeleton Cycloartanol-skeleton Enoate ester Ether Fatty acid ester Fatty acyl Hydrocarbon derivative Hydroxycinnamic acid or derivatives Methoxybenzene Methoxyphenol Monocarboxylic acid or derivatives Monocyclic benzene moiety Organic oxide Organic oxygen compound Organooxygen compound Phenol Phenol ether Phenoxy compound Steroid ester Styrene Triterpenoid logp 8.54 ALOGPS logs -7.65 ALOGPS solubility 1.36e-05 g/l ALOGPS melting_point Mp 148-150° logp 10.12 ChemAxon pka_strongest_acidic 9.87 ChemAxon pka_strongest_basic -4.9 ChemAxon iupac 7,7,12,16-tetramethyl-15-(6-methylhept-5-en-2-yl)pentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecan-6-yl (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate ChemAxon average_mass 602.8861 ChemAxon mono_mass 602.433510344 ChemAxon smiles COC1=CC(\C=C\C(=O)OC2CCC34CC33CCC5(C)C(CCC5(C)C3CCC4C2(C)C)C(C)CCC=C(C)C)=CC=C1O ChemAxon formula C40H58O4 ChemAxon inchi InChI=1S/C40H58O4/c1-26(2)10-9-11-27(3)29-18-20-38(7)33-16-15-32-36(4,5)34(19-21-39(32)25-40(33,39)23-22-37(29,38)6)44-35(42)17-13-28-12-14-30(41)31(24-28)43-8/h10,12-14,17,24,27,29,32-34,41H,9,11,15-16,18-23,25H2,1-8H3/b17-13+ ChemAxon inchikey FODTZLFLDFKIQH-GHRIWEEISA-N ChemAxon polar_surface_area 55.76 ChemAxon refractivity 180.04 ChemAxon polarizability 73.97 ChemAxon rotatable_bond_count 9 ChemAxon acceptor_count 3 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 16452 Specdb::CMs 44629 Specdb::CMs 474607 Specdb::CMs 792195 Specdb::MsMs 74583 Specdb::MsMs 74584 Specdb::MsMs 74585 Specdb::MsMs 134007 Specdb::MsMs 134008 Specdb::MsMs 134009 Specdb::MsMs 2473256 Specdb::MsMs 2473257 Specdb::MsMs 2473258 Specdb::MsMs 2489109 Specdb::MsMs 2489110 Specdb::MsMs 2489111 HMDB35891 #<Reference:0x000055ce308cee80> Breakfast cereal Type 2 specific Cereals and cereal products Unknown generic Fats and oils Unknown generic Rice Type 1 specific Oryza sativa 4530