(-)-8,11,13-Abietatrien-7Alpha-Ol
Representations & DB's id
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| ChEBI: | None | |
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| ChEMBL: | CHEMBL3799137 | |
| PubChem: | 21764434 | |
| IUPAC: | (4aS,9R,10aS)-1,1,4a-trimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-9-ol | |
| Standard InChI: | InChI=1S/C20H30O/c1-13(2)14-7-8-16-15(11-14)17(21)12-18-19(3,4)9-6-10-20(16,18)5/h7-8,11,13,17-18,21H,6,9-10,12H2,1-5H3/t17-,18+,20-/m1/s1 | |
| Standard InChI Key: | JMYBTVXXLMTVKS-WSTZPKSXSA-N | |
| SMILES: | O[C@@H]1C[C@H]2C(C)(C)CCC[C@@]2(c2c1cc(cc2)C(C)C)C | |
Molecular propeties
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| AlogP: | 5.33 | |
|---|---|---|
| Hydrogen bonds acceptors: | 1 | |
| Hydrogen bonds donors: | 1 | |
| Rotatable bonds: | 1 | |
| Number of rings: | 3 | |
| Molecular Weight: | 286.23 | |
| Topological polar surface area: | 20.2 | |
| Number of aromatic rings: | 1 | |
| Fsp3: | 0.7 | |
| Number of carbons: | 20 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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