(1S,4R,4As,6R)-4,4A-Dimethyl-6-Prop-1-En-2-Yl-2,3,4,5,6,7-Hexahydro-1H-Naphthalen-1-Ol
Representations & DB's id
| ||
| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL489541 | |
| PubChem: | 44576208 | |
| IUPAC: | (1S,4R,4aS,6R)-4,4a-dimethyl-6-prop-1-en-2-yl-2,3,4,5,6,7-hexahydro-1H-naphthalen-1-ol | |
| Standard InChI: | InChI=1S/C15H24O/c1-10(2)12-6-7-13-14(16)8-5-11(3)15(13,4)9-12/h7,11-12,14,16H,1,5-6,8-9H2,2-4H3/t11-,12-,14+,15+/m1/s1 | |
| Standard InChI Key: | NJWPLFBOSCSZFA-UXOAXIEHSA-N | |
| SMILES: | CC(=C)[C@@H]1CC=C2[C@](C1)(C)[C@H](C)CC[C@@H]2O | |
Molecular propeties
| ||
| AlogP: | 3.7 | |
|---|---|---|
| Hydrogen bonds acceptors: | 1 | |
| Hydrogen bonds donors: | 1 | |
| Rotatable bonds: | 1 | |
| Number of rings: | 2 | |
| Molecular Weight: | 220.18 | |
| Topological polar surface area: | 20.2 | |
| Number of aromatic rings: | 0 | |
| Fsp3: | 0.733 | |
| Number of carbons: | 15 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
|---|