| Phytochemical Name : alpha-Tocotrienol |
| PCNDIDA0110 |
| Pubchem CID : 5282347 |
| Molecular formula: C29H44O2 |
| Canonical SMILES : CC1=C(C2=C(CCC(O2)(C)CCC=C(C)CCC=C(C)CCC=C(C)C)C(=C1O)C)C |
Synonymes : alpha-Tocotrienol|58864-81-6|D-alpha-Tocotrienol|zeta1-Tocopherol|(R)-alpha-Tocotrienol|D-|A-Tocotrienol|(2R,3'E,7'E)-alpha-Tocotrienol|Tocotrienol, alpha|1721-51-3|alpha-Tocotrienol [MI]|UNII-B6LXL1832Y|B6LXL1832Y|CHEBI:33270|(2R)-2,5,7,8-tetramethyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]chroman-6-ol|(2R)-2,5,7,8-tetramethyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]-3,4-dihydrochromen-6-ol|(2R)-2,5,7,8-Tetramethyl-2-((3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl)chroman-6-ol|2H-1-Benzopyran-6-ol, 3,4-dihydro-2,5,7,8-tetramethyl-2-((3E,7E)-4,8,12-trimethyl-3,7,11-tridecatrienyl)-, (2R)-|2H-1-Benzopyran-6-ol, 3,4-dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyl-3,7,11-tridecatrienyl)-, (R-(E,E))-|dl-alpha-Tocotrienol|2R,5,7,8-tetramethyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trien-1-yl]-3,4-dihydro-2H-chromen-6-ol|5,7,8-Trimethyltocotrienol|alpha -Tocotrienol|2H-1-Benzopyran-6-ol, 3,4-dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyl-3,7,11-tridecatrienyl)-, [R-(E,E)]-|2H-1-benzopyran-6-ol, 3,4-dihydro-2,5,7,8-tetramethyl-2-[(3E,7E)-4,8,12-trimethyl-3,7,11-tridecatrienyl]-, (2R)-|.alpha.-Tocotrienol|delta-alpha-tocotrienol|(-)-alpha-Tocotrienol|D-ALPHA TOCOTRIENOL|D-.ALPHA.-TOCOTRIENOL|SCHEMBL242672|CHEMBL120276|Tocotrienol, 5,7,8-trimethyl|SCHEMBL16430461|(R)-.ALPHA.-TOCOTRIENOL|.ALPHA.-TOCOTRIENOL [MI]|DTXSID901019976|HMS3650C04|ALPHA-TOCOTRIENOL [WHO-DD]|LMPR02020054|MFCD11045308|alpha-Tocotrienol, analytical standard|VITAMIN E (ALPHA-TOCOTRIENOL)|NCGC00253538-02|AS-78670|HY-129459|CS-0105636|(2R,3'E,7'E)-.ALPHA.-TOCOTRIENOL|D-alpha-Tocotrienol, analytical reference material|Q171833|SR-01000946263|J-010798|SR-01000946263-1|2,5,7,8-tetramethyl-2-(4,8,12-trimethyl-3,7,11-tridecatrienyl)-6-chromanol|(2R)-2,5,7,8-tetramethyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trien-1-yl]-3,4-dihydro-2H-chromen-6-ol|(2R)-2beta,5,7,8-Tetramethyl-2-[(3E,7E)-4,8,12-trimethyl-3,7,11-tridecatrienyl]-3,4-dihydro-2H-1-benzopyran-6-ol|(2R)-3,4-Dihydro-2,5,7,8-tetramethyl-2-[(3E,7E)-4,8,12-trimethyl-3,7,11-tridecatrienyl]-2H-1-benzopyran-6-ol|2H-1-Benzopyran-6-ol, 3,4-dihydro-2,5,7,8-tetramethyl-2-[(3E,7E)-4,8,12-trimethyl-3,7,11-tridecatrienyl]-, (2R)- (9CI) |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 5.810 |
| Log Po/w (XLOGP3) : 9.310 |
| Log Po/w (WLOGP) : 8.600 |
| Log Po/w (MLOGP) : 5.880 |
| Log Po/w (SILICOS-IT) : 9.270 |
| Consensus Log Po/w : 7.770 |