Delta-Tocotrienol
Representations & DB's id
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| ChEBI: | CHEBI:33276 | |
|---|---|---|
| ChEMBL: | CHEMBL121305 | |
| PubChem: | 5282350 | |
| IUPAC: | (2R)-2,8-dimethyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]-3,4-dihydrochromen-6-ol | |
| Standard InChI: | InChI=1S/C27H40O2/c1-20(2)10-7-11-21(3)12-8-13-22(4)14-9-16-27(6)17-15-24-19-25(28)18-23(5)26(24)29-27/h10,12,14,18-19,28H,7-9,11,13,15-17H2,1-6H3/b21-12+,22-14+/t27-/m1/s1 | |
| Standard InChI Key: | ODADKLYLWWCHNB-LDYBVBFYSA-N | |
| SMILES: | C/C(=CCC[C@]1(C)CCc2c(O1)c(C)cc(c2)O)/CC/C=C(/CCC=C(C)C)C | |
Molecular propeties
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| AlogP: | 7.98 | |
|---|---|---|
| Hydrogen bonds acceptors: | 2 | |
| Hydrogen bonds donors: | 1 | |
| Rotatable bonds: | 9 | |
| Number of rings: | 2 | |
| Molecular Weight: | 396.3 | |
| Topological polar surface area: | 29.5 | |
| Number of aromatic rings: | 1 | |
| Fsp3: | 0.556 | |
| Number of carbons: | 27 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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