Ferruginol
Representations & DB's id
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| ChEBI: | CHEBI:78274 | |
|---|---|---|
| ChEMBL: | CHEMBL197308 | |
| PubChem: | 442027 | |
| IUPAC: | (4bS,8aS)-4b,8,8-trimethyl-2-propan-2-yl-5,6,7,8a,9,10-hexahydrophenanthren-3-ol | |
| Standard InChI: | InChI=1S/C20H30O/c1-13(2)15-11-14-7-8-18-19(3,4)9-6-10-20(18,5)16(14)12-17(15)21/h11-13,18,21H,6-10H2,1-5H3/t18-,20+/m0/s1 | |
| Standard InChI Key: | QXNWVJOHUAQHLM-AZUAARDMSA-N | |
| SMILES: | CC(c1cc2CC[C@@H]3[C@](c2cc1O)(C)CCCC3(C)C)C | |
Molecular propeties
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| AlogP: | 5.55 | |
|---|---|---|
| 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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