10alpha-Hydroxy-delta9'11-hexahydrocannabinol
PubChem CID: 122180086
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| Compound Synonyms | CHEMBL3586108, 10alpha-Hydroxy-delta9'11-hexahydrocannabinol, 56986-42-6, BDBM50092345, PD192583 |
|---|---|
| Topological Polar Surface Area | 49.7 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 24.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 458.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 3.0 |
| Iupac Name | (6aR,10R,10aR)-6,6-dimethyl-9-methylidene-3-pentyl-7,8,10,10a-tetrahydro-6aH-benzo[c]chromene-1,10-diol |
| Prediction Hob | 1.0 |
| Target Id | NPT1287, NPT232 |
| Xlogp | 5.8 |
| Molecular Formula | C21H30O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | HDNJNVPZXVJOMB-ZTNFWEORSA-N |
| Fcsp3 | 0.6190476190476191 |
| Logs | -3.064 |
| Rotatable Bond Count | 4.0 |
| Logd | 4.779 |
| Compound Name | 10alpha-Hydroxy-delta9'11-hexahydrocannabinol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 330.219 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 330.219 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 330.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.495401599999999 |
| Inchi | InChI=1S/C21H30O3/c1-5-6-7-8-14-11-16(22)19-17(12-14)24-21(3,4)15-10-9-13(2)20(23)18(15)19/h11-12,15,18,20,22-23H,2,5-10H2,1,3-4H3/t15-,18-,20+/m1/s1 |
| Smiles | CCCCCC1=CC(=C2[C@H]3[C@@H](CCC(=C)[C@@H]3O)C(OC2=C1)(C)C)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Cannabis Sativa (Plant) Rel Props:Source_db:cmaup_ingredients