8-Hydroxy-delta(9)-tetrahydrocannabinol
PubChem CID: 169652
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| Compound Synonyms | 34984-78-6, 8-Hydroxy-delta(9)-tetrahydrocannabinol, 671A0K1FQE, 8-Ohthc, TO89JGK3SC, 8beta-Hydroxy-delta (9)-thc, 8alpha-Hydroxy-delta (9)-thc, THC, 8 beta-OH, 8 beta-Hydroxy-delta(9)-tetrahyrocannabinol, UNII-671A0K1FQE, CHEMBL3586105, SCHEMBL23043730, BDBM84880, DTXSID10188525, (6aR,8R,10aR)-6,6,9-Trimethyl-3-pentyl-6H,6ah,7H,8H,10ah-benzo(C)isochromene-1,8-diol, 38456-07-4, 8?-Hydroxy-?9-tetrahydro Cannabinol, (6aR,8R,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromene-1,8-diol, 8.BETA.-HYDROXY-.DELTA.9-THC, PD167671, NS00000177, 8.BETA.-HYDROXY-.DELTA.9-TETRAHYDROCANNABINOL, (-)-8.BETA.-HYDROXY-.DELTA.9-TETRAHYDROCANNABINOL, (6aalpha,8alpha,10abeta)-isomer of 8-hydroxy-delta(9)-tetrahydrocannabinol, (8R)-6,6,9-TRIMETHYL-3-PENTYL-6A,7,8,10A-TETRAHYDROBENZO(C)CHROMENE-1,8-DIOL, 6H-DIBENZO(B,D)PYRAN-1,8-DIOL, 6A,7,8,10A-TETRAHYDRO-6,6,9-TRIMETHYL-3-PENTYL-, (6A.ALPHA.,8.ALPHA.,10A.BETA.)-, 6H-DIBENZO(B,D)PYRAN-1,8-DIOL, 6A,7,8,10A-TETRAHYDRO-6,6,9-TRIMETHYL-3-PENTYL-, (6AR,8R,10AR)-, 6H-Dibenzo(b,d)pyran-1,8-diol, 6a,7,8,10a-tetrahydro-6,6,9-trimethyl-3-pentyl-, (6aR-(6aalpha,8alpha,10abeta))- |
|---|---|
| Topological Polar Surface Area | 49.7 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 24.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 470.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 3.0 |
| Uniprot Id | P34972, P21554 |
| Iupac Name | (6aR,8R,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromene-1,8-diol |
| Prediction Hob | 1.0 |
| Target Id | NPT1287, NPT232 |
| Xlogp | 5.9 |
| Molecular Formula | C21H30O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | INKUWBOHCFHXTJ-BRWVUGGUSA-N |
| Fcsp3 | 0.6190476190476191 |
| Logs | -2.829 |
| Rotatable Bond Count | 4.0 |
| Logd | 4.4 |
| Compound Name | 8-Hydroxy-delta(9)-tetrahydrocannabinol |
| 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 | -5.5017016 |
| 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 |
| Smiles | CCCCCC1=CC(=C2[C@@H]3C=C([C@@H](C[C@H]3C(OC2=C1)(C)C)O)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;npass_chem_all