8-Hydroxycannabinolic Acid A
Representations & DB's id
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| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL560418 | |
| PubChem: | 44139742 | |
| IUPAC: | 1,8-dihydroxy-6,6,9-trimethyl-3-pentylbenzo[c]chromene-2-carboxylic acid | |
| Standard InChI: | InChI=1S/C22H26O5/c1-5-6-7-8-13-10-17-19(20(24)18(13)21(25)26)14-9-12(2)16(23)11-15(14)22(3,4)27-17/h9-11,23-24H,5-8H2,1-4H3,(H,25,26) | |
| Standard InChI Key: | DMVDJDMFQCOKJW-UHFFFAOYSA-N | |
| SMILES: | CCCCCc1cc2OC(C)(C)c3c(c2c(c1C(=O)O)O)cc(c(c3)O)C | |
Molecular propeties
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| AlogP: | 5.13 | |
|---|---|---|
| Hydrogen bonds acceptors: | 4 | |
| Hydrogen bonds donors: | 3 | |
| Rotatable bonds: | 5 | |
| Number of rings: | 3 | |
| Molecular Weight: | 370.18 | |
| Topological polar surface area: | 87 | |
| Number of aromatic rings: | 2 | |
| Fsp3: | 0.409 | |
| Number of carbons: | 22 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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