(4S,4Ar,5S,8Ar)-3,4A,5-Trimethyl-5,6,7,8,8A,9-Hexahydro-4H-Benzo[F][1]Benzofuran-4-Ol
Representations & DB's id
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| ChEBI: | None | |
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| ChEMBL: | CHEMBL1993259 | |
| PubChem: | 383983 | |
| IUPAC: | (4S,4aR,5S,8aR)-3,4a,5-trimethyl-5,6,7,8,8a,9-hexahydro-4H-benzo[f][1]benzofuran-4-ol | |
| Standard InChI: | InChI=1S/C15H22O2/c1-9-8-17-12-7-11-6-4-5-10(2)15(11,3)14(16)13(9)12/h8,10-11,14,16H,4-7H2,1-3H3/t10-,11+,14+,15+/m0/s1 | |
| Standard InChI Key: | ANKFPIBCTISOBX-RBDSIQFVSA-N | |
| SMILES: | Cc1coc2c1[C@@H](O)[C@]1([C@@H](C2)CCC[C@@H]1C)C | |
Molecular propeties
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| AlogP: | 3.62 | |
|---|---|---|
| Hydrogen bonds acceptors: | 2 | |
| Hydrogen bonds donors: | 1 | |
| Rotatable bonds: | 0 | |
| Number of rings: | 3 | |
| Molecular Weight: | 234.16 | |
| Topological polar surface area: | 33.4 | |
| Number of aromatic rings: | 1 | |
| Fsp3: | 0.733 | |
| Number of carbons: | 15 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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