Oxyphyllol A
Representations & DB's id
| ||
| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL510319 | |
| PubChem: | 637451 | |
| IUPAC: | (1R,4aR,7R)-1,4a-dimethyl-7-prop-1-en-2-yl-2,3,4,5,6,7-hexahydronaphthalen-1-ol | |
| Standard InChI: | InChI=1S/C15H24O/c1-11(2)12-6-9-14(3)7-5-8-15(4,16)13(14)10-12/h10,12,16H,1,5-9H2,2-4H3/t12-,14-,15-/m1/s1 | |
| Standard InChI Key: | NZGMCTHRDPVWIP-BPLDGKMQSA-N | |
| SMILES: | CC(=C)[C@@H]1CC[C@@]2(C(=C1)[C@](C)(O)CCC2)C | |
Molecular propeties
| ||
| AlogP: | 3.84 | |
|---|---|---|
| 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. |
|---|