Alpha-Tocotrienol
Representations & DB's id
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| ChEBI: | CHEBI:33270 | |
|---|---|---|
| ChEMBL: | CHEMBL120276 | |
| PubChem: | 5282347 | |
| IUPAC: | (2R)-2,5,7,8-tetramethyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]-3,4-dihydrochromen-6-ol | |
| Standard InChI: | InChI=1S/C29H44O2/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-18-29(8)19-17-26-25(7)27(30)23(5)24(6)28(26)31-29/h12,14,16,30H,9-11,13,15,17-19H2,1-8H3/b21-14+,22-16+/t29-/m1/s1 | |
| Standard InChI Key: | RZFHLOLGZPDCHJ-XZXLULOTSA-N | |
| SMILES: | C/C(=CCC[C@]1(C)CCc2c(O1)c(C)c(c(c2C)O)C)/CC/C=C(/CCC=C(C)C)C | |
Molecular propeties
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| AlogP: | 8.6 | |
|---|---|---|
| Hydrogen bonds acceptors: | 2 | |
| Hydrogen bonds donors: | 1 | |
| Rotatable bonds: | 9 | |
| Number of rings: | 2 | |
| Molecular Weight: | 424.33 | |
| Topological polar surface area: | 29.5 | |
| Number of aromatic rings: | 1 | |
| Fsp3: | 0.586 | |
| Number of carbons: | 29 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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