| Phytochemical Name : alpha-Carotene |
| PCNDIDA0082 |
| Pubchem CID : 6419725 |
| Molecular formula: C40H56 |
| Canonical SMILES : CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2C(=CCCC2(C)C)C)C)C |
Synonymes : ALPHA-CAROTENE|7488-99-5|Carotene|(+)-alpha-Carotene|(6'R)-beta,epsilon-Carotene|alpha-Carotene (natural)|UNII-45XWE1Z69V|45XWE1Z69V|CCRIS 6294|Hi-Alpha|alpha-Carotene/ beta,epsilon-Carotene|1,3,3-trimethyl-2-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-[(1R)-2,6,6-trimethylcyclohex-2-en-1-yl]octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohexene|CHEBI:28425|.beta.,.epsilon.-Carotene, (6'R)-|9-cis-alpha-Carotene|C05433|13-cis-alpha-Carotene|(15Z)-alpha-Carotene|.ALPHA.-CAROTENE|(6\\'R)-,-carotene|13'-cis-alpha-Carotene|(9'Z)-beta,epsilon-Carotene|.ALPHA.-CAROTENE [MI]|ALPHA-CAROTENE [WHO-DD]|CHEBI:35147|beta,epsilon-Carotene, (6'R)-|DTXSID00893691|alpha-Carotene, analytical standard|LMPR01070011|AKOS040740656|alpha-Carotene, >=95.0% (HPLC)|alpha carotene (stereochemistry specified)|(6'R)-.BETA.,.EPSILON.-CAROTENE|HY-113462|CS-0059640|Q142871|4,5-DIDEHYDRO-5,6-DIHYDRO-.BETA.,.BETA.-CAROTENE|(ALL-E)-1,3,3-TRIMETHYL-2-(3,7,12,16-TETRAMETHYL-18-(2,6,6-TRIMETHYL-2-CYCLOHEXEN-1-YL)-1,3,5,7,9,11,13,15,17-OCTADECANONAENYL)CYCLOHEXENE|1,3,3-trimethyl-2-((1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-((R)-2,6,6-trimethylcyclohex-2-enyl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl)cyclohex-1-ene|1,3,3-TRIMETHYL-2-((1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-TETRAMETHYL-18-(2,6,6-TRIMETHYL-2-CYCLOHEXEN-1-YL)-1,3,5,7,9,11,13,15,17-OCTADECANONAEN-1-YL)CYCLOHEXENE |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 7.830 |
| Log Po/w (XLOGP3) : 13.650 |
| Log Po/w (WLOGP) : 12.460 |
| Log Po/w (MLOGP) : 8.960 |
| Log Po/w (SILICOS-IT) : 12.250 |
| Consensus Log Po/w : 11.030 |