| Phytochemical Name : Apocarotenal |
| PCNDIDA0158 |
| Pubchem CID : 5478003 |
| Molecular formula: C30H40O |
| Canonical SMILES : CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=O)C)C |
Synonymes : Apocarotenal|1107-26-2|8'-Apo-beta-carotenal|beta-apo-8'-carotenal|C.I. Food Orange 6|8'-Apo-beta-caroten-8'-al|beta-apo-Carotenal|C Orange 16|beta-Apocarotenal|Food orange 6|8'Apo-beta,psi-carotenal|trans-beta-Apo-8'-carotenal|beta-Apo-8'-carotenal (C30)|all-trans-beta-Apo-8'-carotenal|BETA-APO-8'-CAROTENAL (TRANS)|CCRIS 7933|all-trans-8'-apo-beta-carotenal|E160E|E 160 e|8'-Apo-beta-carotenal, all-trans-|EINECS 214-171-6|(2E,4E,6E,8E,10E,12E,14E,16E)-2,6,11,15-tetramethyl-17-(2,6,6-trimethylcyclohexen-1-yl)heptadeca-2,4,6,8,10,12,14,16-octaenal|.beta.-apo-8'-Carotenal|8'-Apo-beta,psi-carotenal|BRN 2064131|CI 40820|UNII-V22N3E2U32|Beta-apo-8'-carotenal(trans)|C.I. 40820|8'-apo-beta,psi-caroten-8'-al|V22N3E2U32|2,4,6,8,10,12,14,16-Heptadecaoctaenal, 2,6,11,15-tetramethyl-17-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, (2E,4E,6E,8E,10E,12E,14E,16E)-|8'-APO-.BETA.,.PSI.-CAROTENAL|2,4,6,8,10,12,14,16-Heptadecaoctaenal, 2,6,11,15-tetramethyl-17-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, (all-E)-|4-07-00-01782 (Beilstein Handbook Reference)|8'-Apoaldehyde|CI Food Orange 6|trans-b-apo-8'-carotenal|trans-?-Apo-8?-carotenal|APOCAROTENAL [MART.]|Color Index No. 40820|Color Index Number 40820|Colour Index No. 40820|APOCAROTENAL [USP-RS]|Colour Index Number 40820|INS NO.160E|SCHEMBL341809|INS-160E|SCHEMBL2768511|trans- beta -Apo-8'-carotenal|CHEBI:53154|C30H40O|DTXSID20883251|8'-APO-.BETA.-CAROTENAL|CAROTENAL, BETA-APO-8'-|CI 40820 [INCI]|HY-N6677|8'-Apo-.beta.,.pseudo.-carotenal|BETA-APO-8-CAROTENAL(TRANS)|C30-H40-O|E-160E|NSC374897|AKOS024386366|BETA-APO-8'-CAROTENAL [FCC]|8'-Apo-.beta.-carotenal, all-trans-|NSC-374897|NCGC00187588-01|LS-21455|XA167402|CI(1975)NO.40820|CS-0099621|S5846|CAROTENAL, 8'-APO-.BETA., .PSI.-|C19728|F82418|trans-beta-Apo-8'-carotenal, >=96.0% (UV)|Q274972|J-002468|Z2583134452|Apocarotenal, United States Pharmacopeia (USP) Reference Standard|(2E,4E,6E,8E,10E,12E,14E)-2,6,11,15-Tetramethyl-17-(2,6,6-trimethyl-1-cyclohexenyl)-2,4,6,8,10,12,14,16-heptadecaoctaenal|(2E,4E,6E,8E,10E,12E,14E,16E)-2,6,11,15-tetramethyl-17-(2,6,6-trimethylcyclohex-1-enyl)heptadeca-2,4,6,8,10,12,14,16-octaenal |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 5.790 |
| Log Po/w (XLOGP3) : 9.380 |
| Log Po/w (WLOGP) : 8.720 |
| Log Po/w (MLOGP) : 6.160 |
| Log Po/w (SILICOS-IT) : 9.190 |
| Consensus Log Po/w : 7.850 |