Cannabiripsol
Representations & DB's id
| ||
| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL3586111 | |
| PubChem: | 192007 | |
| IUPAC: | (6aR,9S,10S,10aR)-6,6,9-trimethyl-3-pentyl-7,8,10,10a-tetrahydro-6aH-benzo[c]chromene-1,9,10-triol | |
| Standard InChI: | InChI=1S/C21H32O4/c1-5-6-7-8-13-11-15(22)18-16(12-13)25-20(2,3)14-9-10-21(4,24)19(23)17(14)18/h11-12,14,17,19,22-24H,5-10H2,1-4H3/t14-,17-,19+,21+/m1/s1 | |
| Standard InChI Key: | TZGCTXUTNDNTTE-DYZHCLJRSA-N | |
| SMILES: | CCCCCc1cc(O)c2c(c1)OC([C@H]1[C@H]2[C@H](O)[C@@](CC1)(C)O)(C)C | |
Molecular propeties
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| AlogP: | 3.9 | |
|---|---|---|
| Hydrogen bonds acceptors: | 4 | |
| Hydrogen bonds donors: | 3 | |
| Rotatable bonds: | 4 | |
| Number of rings: | 3 | |
| Molecular Weight: | 348.23 | |
| Topological polar surface area: | 69.9 | |
| Number of aromatic rings: | 1 | |
| Fsp3: | 0.714 | |
| Number of carbons: | 21 | |