| Phytochemical Name : Capsanthin |
| PCNDIDC0042 |
| Pubchem CID : 5281228 |
| Molecular formula: C40H56O3 |
| Canonical SMILES : CC1=C(C(CC(C1)O)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC(=O)C2(CC(CC2(C)C)O)C)C)C |
Synonymes : Capsanthin|465-42-9|all-trans-capsanthin|Capsanthin/capsorubin|all trans Capsanthin|EINECS 207-364-1|UNII-420NY1J57N|CHEBI:3375|HSDB 7977|420NY1J57N|(3R,3'S,5'R)-3,3'-Dihydroxy-beta,kappa-caroten-6'-one|3,3'-Dihydroxy-beta,kappa-caroten-6'one|beta,kappa-Caroten-6'one, 3,3'dihydroxy-|DTXSID10905012|(2E,4E,6E,8E,10E,12E,14E,16E,18E)-19-[(4R)-4-hydroxy-2,6,6-trimethylcyclohexen-1-yl]-1-[(1R,4S)-4-hydroxy-1,2,2-trimethylcyclopentyl]-4,8,13,17-tetramethylnonadeca-2,4,6,8,10,12,14,16,18-nonaen-1-one|(2E,4E,6E,8E,10E,12E,14E,16E,18E)-1-((1R,4S)-4-hydroxy-1,2,2-trimethylcyclopentyl)-19-((R)-4-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl)-4,8,13,17-tetramethylnonadeca-2,4,6,8,10,12,14,16,18-nonaen-1-one|2,4,6,8,10,12,14,16,18-NONADECANONAEN-1-ONE, 19-(4-HYDROXY-2,6,6-TRIMETHYL-1-CYCLOHEXEN-1-YL)-1-(4-HYDROXY-1,2,2-TRIMETHYLCYCLOPENTYL)-4,8,13,17-TETRAMETHYL-, (ALL-E)-|2,4,6,8,10,12,14,16,18-NONADECANONAEN-1-ONE, 19-(4-HYDROXY-2,6,6-TRIMETHYL-1-CYCLOHEXEN-1-YL)-1-(5-HYDROXY-1,2,2-TRIMETHYLCYCLOPENTYL)-4,8,13,17-TETRAMETHYL-|CAPSANTHIN [MI]|UPCMLD-DP025|SCHEMBL117691|SPECTRUM1505276|CAPSANTHIN / CAPSORUBIN|CHEMBL1519371|UPCMLD-DP025:001|DTXCID401334125|C40H56O3|Capsanthin, >=90.0% (HPLC)|CAPSANTHIN/CAPSORUBIN [INCI]|LMPR01070265|AKOS040761459|CCG-214238|SDCCGMLS-0066894.P001|NCGC00161603-01|LS-48670|HY-125711|CS-0093389|3,3'-DIHYDROXY-beta,kappa-CAROTEN-6'ON|C08584|A827066|Q425431|SR-05000002758|SR-05000002758-1|3,3'-DIHYDROXY-.BETA.,.KAPPA.-CAROTEN-6'ON|(3R,3'S,5'R)-3,3'-dihydroxy-beta,?-caroten-6'-one|.BETA.,.KAPPA.-CAROTEN-6'ONE, 3,3'DIHYDROXY-|(3R,3'S,5'R)-3,3'-DIHYDROXY-.BETA.,.KAPPA.-CAROTEN-6'-ONE|.beta.,.kappa.-Caroten-6'-one, 3,3'-dihydroxy-, (3R,3'S,5'R)-|(2E,4E,6E,8E,10E,12E,14E,16E,18E)-19-(4-hydroxy-2,6,6-trimethylcyclohexen-1-yl)-1-(4-hydroxy-1,2,2-trimethylcyclopentyl)-4,8,13,17-tetramethylnonadeca-2,4,6,8,10,12,14,16,18-nonaen-1-one|(2E,4E,6E,8E,10E,12E,14E,16E,18E)-19-[(4R)-4-hydroxy-2,6,6-trimethyl-1-cyclohexenyl]-1-[(1R,4S)-4-hydroxy-1,2,2-trimethylcyclopentyl]-4,8,13,17-tetramethyl-1-nonadeca-2,4,6,8,10,12,14,16,18-nonaenone|(2E,4E,6E,8E,10E,12E,14E,16E,18E)-4,8,13,17-tetramethyl-19-[(4R)-2,6,6-trimethyl-4-oxidanyl-cyclohexen-1-yl]-1-[(1R,4S)-1,2,2-trimethyl-4-oxidanyl-cyclopentyl]nonadeca-2,4,6,8,10,12,14,16,18-nonaen-1-one |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 6.860 |
| Log Po/w (XLOGP3) : 10.600 |
| Log Po/w (WLOGP) : 9.810 |
| Log Po/w (MLOGP) : 6.080 |
| Log Po/w (SILICOS-IT) : 10.650 |
| Consensus Log Po/w : 8.800 |