8-Hydroxycannabinol
Representations & DB's id
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| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL550897 | |
| PubChem: | 44241652 | |
| IUPAC: | 6,6,9-trimethyl-3-pentylbenzo[c]chromene-1,8-diol | |
| Standard InChI: | InChI=1S/C21H26O3/c1-5-6-7-8-14-10-18(23)20-15-9-13(2)17(22)12-16(15)21(3,4)24-19(20)11-14/h9-12,22-23H,5-8H2,1-4H3 | |
| Standard InChI Key: | XUERFRQVGLONMR-UHFFFAOYSA-N | |
| SMILES: | CCCCCc1cc(O)c2c(c1)OC(c1c2cc(C)c(c1)O)(C)C | |
Molecular propeties
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| AlogP: | 5.43 | |
|---|---|---|
| Hydrogen bonds acceptors: | 3 | |
| Hydrogen bonds donors: | 2 | |
| Rotatable bonds: | 4 | |
| Number of rings: | 3 | |
| Molecular Weight: | 326.19 | |
| Topological polar surface area: | 49.7 | |
| Number of aromatic rings: | 2 | |
| Fsp3: | 0.429 | |
| Number of carbons: | 21 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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