Gamma-Tocotrienol
Representations & DB's id
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| ChEBI: | CHEBI:33277 | |
|---|---|---|
| ChEMBL: | CHEMBL120697 | |
| PubChem: | 5282349 | |
| IUPAC: | (2R)-2,7,8-trimethyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]-3,4-dihydrochromen-6-ol | |
| Standard InChI: | InChI=1S/C28H42O2/c1-20(2)11-8-12-21(3)13-9-14-22(4)15-10-17-28(7)18-16-25-19-26(29)23(5)24(6)27(25)30-28/h11,13,15,19,29H,8-10,12,14,16-18H2,1-7H3/b21-13+,22-15+/t28-/m1/s1 | |
| Standard InChI Key: | OTXNTMVVOOBZCV-WAZJVIJMSA-N | |
| SMILES: | C/C(=CCC[C@]1(C)CCc2c(O1)c(C)c(c(c2)O)C)/CC/C=C(/CCC=C(C)C)C | |
Molecular propeties
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| AlogP: | 8.29 | |
|---|---|---|
| Hydrogen bonds acceptors: | 2 | |
| Hydrogen bonds donors: | 1 | |
| Rotatable bonds: | 9 | |
| Number of rings: | 2 | |
| Molecular Weight: | 410.32 | |
| Topological polar surface area: | 29.5 | |
| Number of aromatic rings: | 1 | |
| Fsp3: | 0.571 | |
| Number of carbons: | 28 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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