Oxyphyllol C
Representations & DB's id
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| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL447862 | |
| PubChem: | 10857540 | |
| IUPAC: | (1S,4R,4aS,6R,8aS)-4,4a-dimethyl-6-prop-1-en-2-yl-1,2,3,4,5,6,7,8-octahydronaphthalene-1,8a-diol | |
| Standard InChI: | InChI=1S/C15H26O2/c1-10(2)12-7-8-15(17)13(16)6-5-11(3)14(15,4)9-12/h11-13,16-17H,1,5-9H2,2-4H3/t11-,12-,13+,14+,15-/m1/s1 | |
| Standard InChI Key: | SYQOXUZXBKCNIB-NIFZNCRKSA-N | |
| SMILES: | CC(=C)[C@@H]1CC[C@@]2([C@](C1)(C)[C@H](C)CC[C@@H]2O)O | |
Molecular propeties
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| AlogP: | 2.89 | |
|---|---|---|
| Hydrogen bonds acceptors: | 2 | |
| Hydrogen bonds donors: | 2 | |
| Rotatable bonds: | 1 | |
| Number of rings: | 2 | |
| Molecular Weight: | 238.19 | |
| Topological polar surface area: | 40.5 | |
| Number of aromatic rings: | 0 | |
| Fsp3: | 0.867 | |
| Number of carbons: | 15 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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