(+/-)-4-Acetoxycannabichromene
Representations & DB's id
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| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL550550 | |
| PubChem: | 44139609 | |
| IUPAC: | [5-hydroxy-2-methyl-2-(4-methylpent-3-enyl)-7-pentylchromen-8-yl] acetate | |
| Standard InChI: | InChI=1S/C23H32O4/c1-6-7-8-11-18-15-20(25)19-12-14-23(5,13-9-10-16(2)3)27-22(19)21(18)26-17(4)24/h10,12,14-15,25H,6-9,11,13H2,1-5H3 | |
| Standard InChI Key: | ZIPSGGAAGYQIFR-UHFFFAOYSA-N | |
| SMILES: | CCCCCc1cc(O)c2c(c1OC(=O)C)OC(C=C2)(C)CCC=C(C)C | |
Molecular propeties
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| AlogP: | 5.96 | |
|---|---|---|
| Hydrogen bonds acceptors: | 4 | |
| Hydrogen bonds donors: | 1 | |
| Rotatable bonds: | 8 | |
| Number of rings: | 2 | |
| Molecular Weight: | 372.23 | |
| Topological polar surface area: | 55.8 | |
| Number of aromatic rings: | 1 | |
| Fsp3: | 0.522 | |
| Number of carbons: | 23 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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