8Beta-Hydroxy-Delta9-Tetrahydrocannabinol
Representations & DB's id
| ||
| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL3586105 | |
| PubChem: | 169652 | |
| IUPAC: | (6aR,8R,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromene-1,8-diol | |
| Standard InChI: | InChI=1S/C21H30O3/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/h9-11,15-17,22-23H,5-8,12H2,1-4H3/t15-,16-,17-/m1/s1 | |
| Standard InChI Key: | INKUWBOHCFHXTJ-BRWVUGGUSA-N | |
| SMILES: | CCCCCc1cc(O)c2c(c1)OC([C@H]1[C@H]2C=C(C)[C@@H](C1)O)(C)C | |
Molecular propeties
| ||
| AlogP: | 4.71 | |
|---|---|---|
| Hydrogen bonds acceptors: | 3 | |
| Hydrogen bonds donors: | 2 | |
| Rotatable bonds: | 4 | |
| Number of rings: | 3 | |
| Molecular Weight: | 330.22 | |
| Topological polar surface area: | 49.7 | |
| Number of aromatic rings: | 1 | |
| Fsp3: | 0.619 | |
| Number of carbons: | 21 | |