Ent-Kaur-16-en-19-ol
Representations & DB's id
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| ChEBI: | CHEBI:29611 | |
|---|---|---|
| ChEMBL: | CHEMBL590263 | |
| PubChem: | 443465 | |
| IUPAC: | [(1S,4S,5R,9S,10R,13R)-5,9-dimethyl-14-methylidene-5-tetracyclo[11.2.1.01,10.04,9]hexadecanyl]methanol | |
| Standard InChI: | InChI=1S/C20H32O/c1-14-11-20-10-7-16-18(2,13-21)8-4-9-19(16,3)17(20)6-5-15(14)12-20/h15-17,21H,1,4-13H2,2-3H3/t15-,16-,17+,18+,19-,20-/m1/s1 | |
| Standard InChI Key: | TUJQVRFWMWRMIO-XRNRSJMDSA-N | |
| SMILES: | OC[C@]1(C)CCC[C@@]2([C@@H]1CC[C@@]13[C@H]2CC[C@H](C3)C(=C)C1)C | |
Molecular propeties
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| AlogP: | 4.95 | |
|---|---|---|
| Hydrogen bonds acceptors: | 1 | |
| Hydrogen bonds donors: | 1 | |
| Rotatable bonds: | 1 | |
| Number of rings: | 4 | |
| Molecular Weight: | 288.25 | |
| Topological polar surface area: | 20.2 | |
| Number of aromatic rings: | 0 | |
| Fsp3: | 0.9 | |
| Number of carbons: | 20 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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