Hinokiol
Representations & DB's id
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| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL1277661 | |
| PubChem: | 12310492 | |
| IUPAC: | (2S,4aS,10aR)-1,1,4a-trimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-2,6-diol | |
| Standard InChI: | InChI=1S/C20H30O2/c1-12(2)14-10-13-6-7-17-19(3,4)18(22)8-9-20(17,5)15(13)11-16(14)21/h10-12,17-18,21-22H,6-9H2,1-5H3/t17-,18-,20+/m0/s1 | |
| Standard InChI Key: | ODFCWXVQZAQDSO-CMKODMSKSA-N | |
| SMILES: | CC(c1cc2CC[C@@H]3[C@](c2cc1O)(C)CC[C@@H](C3(C)C)O)C | |
Molecular propeties
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| AlogP: | 4.52 | |
|---|---|---|
| Hydrogen bonds acceptors: | 2 | |
| Hydrogen bonds donors: | 2 | |
| Rotatable bonds: | 1 | |
| Number of rings: | 3 | |
| Molecular Weight: | 302.22 | |
| Topological polar surface area: | 40.5 | |
| 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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