4-Terpenyl Cannabinolate
Representations & DB's id
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| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL465713 | |
| PubChem: | 24850050 | |
| IUPAC: | (4-methyl-1-propan-2-ylcyclohex-3-en-1-yl) 1-hydroxy-6,6,9-trimethyl-3-pentylbenzo[c]chromene-2-carboxylate | |
| Standard InChI: | InChI=1S/C32H42O4/c1-8-9-10-11-23-19-26-28(24-18-22(5)12-13-25(24)31(6,7)35-26)29(33)27(23)30(34)36-32(20(2)3)16-14-21(4)15-17-32/h12-14,18-20,33H,8-11,15-17H2,1-7H3 | |
| Standard InChI Key: | CTWVUTHJMAYHKZ-UHFFFAOYSA-N | |
| SMILES: | CCCCCc1cc2OC(C)(C)c3c(c2c(c1C(=O)OC1(CCC(=CC1)C)C(C)C)O)cc(cc3)C | |
Molecular propeties
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| AlogP: | 8.41 | |
|---|---|---|
| Hydrogen bonds acceptors: | 4 | |
| Hydrogen bonds donors: | 1 | |
| Rotatable bonds: | 7 | |
| Number of rings: | 4 | |
| Molecular Weight: | 490.31 | |
| Topological polar surface area: | 55.8 | |
| Number of aromatic rings: | 2 | |
| Fsp3: | 0.531 | |
| Number of carbons: | 32 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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