| Phytochemical Name : Bixin |
| PCNDIDB0121 |
| Pubchem CID : 5281226 |
| Molecular formula: C25H30O4 |
| Canonical SMILES : CC(=CC=CC=C(C)C=CC=C(C)C=CC(=O)OC)C=CC=C(C)C=CC(=O)O |
Synonymes : Bixin|6983-79-5|alpha-Bixin|EINECS 230-248-7|UNII-9L7T4VB66G|9L7T4VB66G|CCRIS 9384|CHEBI:3136|(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|DTXSID1024629|BIXINS CIS-FORM|Methyl (9-cis)-hydrogen-6,6'-diapo-psi,psi-carotenedioate|DTXCID304535|6'-methyl hydrogen 9'-Z-6,6'-diapocarotene-6,6'-dioate|6'-methyl hydrogen 9'-cis-6,6'-diapocarotene-6,6'-dioate|BIXIN (MART.)|BIXIN [MART.]|20-methoxy-4,8,13,17-tetramethyl-20-oxoicosa-2,4,6,8,10,12,14,16,18-nonaenoic acid|Isobixin|2,4,6,8,10,12,14,16,18-Eicosanonaenedioic acid, 4,8,13,17-tetramethyl-, monomethyl ester, (2E,4Z,6E,8E,10E,12E,14E,16E,18E)-|2,4,6,8,10,12,14,16,18-Eicosanonaenedioic acid,4,8,13,17-tetramethyl-, monomethyl ester,(2E,4Z,6E,8E,10E,12E,14E,16E,18E)-|Stable bixin|Bixin, cis-|2,4,6,8,10,12,14,16,18-EICOSANONAENEDIOIC ACID, 4,8,13,17-TETRAMETHYL-, 1-METHYL ESTER, (2E,4Z,6E,8E,10E,12E,14E,16E,18E)-|C25H30O4|a-Bixin|C25-H30-O4|.ALPHA.-BIXIN|BIXINS CIS-FORM [MI]|E160b|Methyl (9-cis)-hydrogen-6,6'-diapo-.psi.,.psi.-carotenedioate|SCHEMBL9939959|6,6'-Diapo-.pseudo.,.pseudo.-carotenedioic acid, monomethyl ester, 9-cis-|6,6'-Diapo-.psi.,.psi.-carotenedioic acid, monomethyl ester, 9-cis-|CHEMBL1172615|Bixin, >=95.0% (HPLC)|HY-N6884|Tox21_303095|AKOS040732608|LS-2171|NCGC00257045-01|MS-26633|CAS-6983-79-5|CS-0100483|C08582|Q424572|6,6'-DIAPO-psi,psi-CAROTENEDIOIC ACID, 6-METHYL ESTER, 9-CIS-|6,6'-DIAPO-.PSI.,.PSI.-CAROTENEDIOIC ACID, 6-METHYL ESTER, 9-CIS- |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 4.740 |
| Log Po/w (XLOGP3) : 7.520 |
| Log Po/w (WLOGP) : 5.810 |
| Log Po/w (MLOGP) : 4.450 |
| Log Po/w (SILICOS-IT) : 6.140 |
| Consensus Log Po/w : 5.730 |