1.0 2010-04-08 22:11:01 UTC 2015-07-20 23:04:10 UTC FDB013987 cis-Bixin Principal colouring matter of Bixa orellana (annatto) seeds [DFC] 6'-Methyl hydrogen 9'-cis-6,6'-diapocarotene-6,6'-dioate 6'-Methyl hydrogen 9'-cis-6,6'-diapocarotene-6,6'-dioic acid 6'-Methyl hydrogen 9'-Z-6,6'-diapocarotene-6,6'-dioate 6'-Methyl hydrogen 9'-Z-6,6'-diapocarotene-6,6'-dioic acid a-Bixin alpha-Bixin C.I. Natural Orange 4 cis-Bixin Isobixin Methyl (9-cis)-hydrogen-6,6'-diapo-psi,psi-carotenedioate Methyl (9-cis)-hydrogen-6,6'-diapo-psi,psi-carotenedioic acid Stable bixin C25H30O4 394.5033 394.214409448 (2E,4E,6E,8E,10E,12E,14E,16Z,18E)-20-methoxy-4,8,13,17-tetramethyl-20-oxoicosa-2,4,6,8,10,12,14,16,18-nonaenoic acid bixin 6983-79-5 COC(=O)\C=C\C(\C)=C/C=C/C(/C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C(O)=O InChI=1S/C25H30O4/c1-20(12-8-14-22(3)16-18-24(26)27)10-6-7-11-21(2)13-9-15-23(4)17-19-25(28)29-5/h6-19H,1-5H3,(H,26,27)/b7-6+,12-8+,13-9+,18-16+,19-17+,20-10+,21-11+,22-14+,23-15- RAFGELQLHMBRHD-SLEZCNMESA-N belongs to the class of organic compounds known as acyclic diterpenoids. These are diterpenoids (compounds made of four consecutive isoprene units) that do not contain a cycle. Acyclic diterpenoids Organic compounds Lipids and lipid-like molecules Prenol lipids Diterpenoids Aliphatic acyclic compounds Carbonyl compounds Carboxylic acids Dicarboxylic acids and derivatives Enoate esters Fatty acid esters Hydrocarbon derivatives Long-chain fatty acids Methyl esters Methyl-branched fatty acids Organic oxides Unsaturated fatty acids Acyclic diterpenoid Aliphatic acyclic compound Alpha,beta-unsaturated carboxylic ester Branched fatty acid Carbonyl group Carboxylic acid Carboxylic acid derivative Carboxylic acid ester Dicarboxylic acid or derivatives Enoate ester Fatty acid ester Fatty acyl Hydrocarbon derivative Long-chain fatty acid Methyl ester Methyl-branched fatty acid Organic oxide Organic oxygen compound Organooxygen compound Unsaturated fatty acid C40 isoprenoids (tetraterpenes) carotenoic acid dicarboxylic acid monoester methyl ester solid logp 6.00 ALOGPS logs -5.44 ALOGPS solubility 1.44e-03 g/l ALOGPS melting_point Mp 189.5-190.5° logp 5.53 ChemAxon pka_strongest_acidic 5.01 ChemAxon pka_strongest_basic -6.8 ChemAxon iupac (2E,4E,6E,8E,10E,12E,14E,16Z,18E)-20-methoxy-4,8,13,17-tetramethyl-20-oxoicosa-2,4,6,8,10,12,14,16,18-nonaenoic acid ChemAxon average_mass 394.5033 ChemAxon mono_mass 394.214409448 ChemAxon smiles COC(=O)\C=C\C(\C)=C/C=C/C(/C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C(O)=O ChemAxon formula C25H30O4 ChemAxon inchi InChI=1S/C25H30O4/c1-20(12-8-14-22(3)16-18-24(26)27)10-6-7-11-21(2)13-9-15-23(4)17-19-25(28)29-5/h6-19H,1-5H3,(H,26,27)/b7-6+,12-8+,13-9+,18-16+,19-17+,20-10+,21-11+,22-14+,23-15- ChemAxon inchikey RAFGELQLHMBRHD-SLEZCNMESA-N ChemAxon polar_surface_area 63.6 ChemAxon refractivity 129.05 ChemAxon polarizability 47.1 ChemAxon rotatable_bond_count 11 ChemAxon acceptor_count 3 ChemAxon donor_count 1 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 23993 Specdb::CMs 44322 Specdb::CMs 171800 Specdb::MsMs 62130 Specdb::MsMs 62131 Specdb::MsMs 62132 Specdb::MsMs 118794 Specdb::MsMs 118795 Specdb::MsMs 118796 Specdb::MsMs 2363756 Specdb::MsMs 2363757 Specdb::MsMs 2363758 Specdb::MsMs 2601794 Specdb::MsMs 2601795 Specdb::MsMs 2601796 HMDB35317 3136 #<Reference:0x000055ce32256560>