| Phytochemical Name : beta-Citraurin |
| PCNDIDB0070 |
| Pubchem CID : 9845703 |
| Molecular formula: C30H40O2 |
| Canonical SMILES : CC1=C(C(CC(C1)O)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=O)C)C |
Synonymes : beta-Citraurin|Apo-8'-zeaxanthinal|650-69-1|8'-Apozeaxanthinal|beta-Citraurin [MI]|3-Hydroxy-beta-apo-8'-carotenal|All-trans-beta-citraurin|beta-Citraurin, all-trans-|UNII-GRI2528DO7|GRI2528DO7|3beta-hydroxy-8'-apo-beta-carotenal|(3R)-3-hydroxy-8'-apo-beta-carotenal|(3R)-3-Hydroxy-beta-apo-8'-carotenal|(3R)-3-hydroxy-8'-apo-beta-caroten-8'-al|(2E,4E,6E,8E,10E,12E,14E,16E)-17-((4R)-4-Hydroxy-2,6,6-trimethyl-1-cyclohexen-1-yl)-2,6,11,15-tetramethyl-2,4,6,8,10,12,14,16-heptadecaoctaenal|2,4,6,8,10,12,14,16-Heptadecaoctaenal, 17-((4R)-4-hydroxy-2,6,6-trimethyl-1-cyclohexen-1-yl)-2,6,11,15-tetramethyl-, (2E,4E,6E,8E,10E,12E,14E,16E)-|(2E,4E,6E,8E,10E,12E,14E,16E)-17-[(4R)-4-Hydroxy-2,6,6-trimethyl-1-cyclohexen-1-yl]-2,6,11,15-tetramethyl-2,4,6,8,10,12,14,16-heptadecaoctaenal|.BETA.-CITRAURIN|SCHEMBL2958226|.BETA.-CITRAURIN [MI]|CHEBI:53159|DTXSID201024326|ALL-TRANS-.BETA.-CITRAURIN|.BETA.-CITRAURIN, ALL-TRANS-|(3R)-hydroxy-8'-apo-beta,psi-carotenal|3-HYDROXY-.BETA.-APO-8'-CAROTENAL|C20894|(3R)-3-HYDROXY-.BETA.-APO-8'-CAROTENAL|8'-Apo-.beta.,.psi.-carotenal, 3-hydroxy-, (3R)-|Q27123988|8'-Apo-.beta.-carotenal, 3-hydroxy-, (R)-all-trans-|(2E,4E,6E,8E,10E,12E,14E,16E)-17-[(4R)-4-hydroxy-2,6,6-trimethylcyclohexen-1-yl]-2,6,11,15-tetramethylheptadeca-2,4,6,8,10,12,14,16-octaenal |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 5.600 |
| Log Po/w (XLOGP3) : 8.100 |
| Log Po/w (WLOGP) : 7.690 |
| Log Po/w (MLOGP) : 5.230 |
| Log Po/w (SILICOS-IT) : 8.320 |
| Consensus Log Po/w : 6.990 |