delta9-CIS-TETRAHYDROCANNABINOL, (-)-
PubChem CID: 12831993
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| Compound Synonyms | cis-Thc, UNII-7JN0PAV0CJ, delta-9-cis-Tetrahydrocannabinol, 7JN0PAV0CJ, delta-9-cis-Tetrahydrocannabinol, (-)-, 43009-38-7, CHEMBL4845760, 6H-Dibenzo[b,d]pyran-1-ol, 6a,7,8,10a-tetrahydro-6,6,9-trimethyl-3-pentyl-, (6aR,10aS)-rel-, SCHEMBL13214137, BDBM50577909, PDSP1_000724, (-)-delta-9-cis-tetrahydrocannabinol, delta9-CIS-TETRAHYDROCANNABINOL, (-)-, .DELTA.9-CIS-TETRAHYDROCANNABINOL, (-)-, Q27268418 |
|---|---|
| Topological Polar Surface Area | 29.5 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 23.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 439.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (6aS,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-ol |
| Prediction Hob | 0.0 |
| Xlogp | 7.0 |
| Molecular Formula | C21H30O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | CYQFCXCEBYINGO-SJORKVTESA-N |
| Fcsp3 | 0.6190476190476191 |
| Logs | -2.332 |
| Rotatable Bond Count | 4.0 |
| Logd | 5.217 |
| Compound Name | delta9-CIS-TETRAHYDROCANNABINOL, (-)- |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 314.225 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 314.225 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 314.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -6.1098512782608685 |
| Inchi | InChI=1S/C21H30O2/c1-5-6-7-8-15-12-18(22)20-16-11-14(2)9-10-17(16)21(3,4)23-19(20)13-15/h11-13,16-17,22H,5-10H2,1-4H3/t16-,17+/m1/s1 |
| Smiles | CCCCCC1=CC(=C2[C@@H]3C=C(CC[C@@H]3C(OC2=C1)(C)C)C)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Glochidion Eriocarpum (Plant) Rel Props:Source_db:cmaup_ingredients