Δ9-tetrahydrocannabinol

Ligand Id: 2424
Ligand name Δ9-tetrahydrocannabinol

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 0
Hydrogen bond donors 1
Rotatable bonds 4
Topological polar surface area 29.46
Molecular weight 314.22
XLogP 6.21
No. Lipinski's rules broken 1

Molecular properties generated using the CDK


Classification
Compound class Natural product or derivative
Approved drug? Yes (source: FDA (1985))
IUPAC Name
(6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-ol
International Nonproprietary Names
INN number INN
5547 dronabinol
Synonyms
Δ9-THC
Abbott 40566
delta9-THC
Marinol®
tetrahydrocannabinol
Database Links
BindingDB Ligand 50007391
CAS Registry No. 1972-08-3 (source: Scifinder)
ChEBI CHEBI:107687
ChEMBL Ligand CHEMBL465
DrugBank Ligand DB00470
PharmGKB Drug PA449421
PubChem CID 16078
RCSB PDB Ligand TCI
Search Google for chemical match using the InChIKey CYQFCXCEBYINGO-IAGOWNOFSA-N
Search Google for chemicals with the same backbone CYQFCXCEBYINGO
Search PubMed clinical trials dronabinol
Search PubMed titles dronabinol
Search PubMed titles/abstracts dronabinol
Wikipedia Tetrahydrocannabinol
Comments
From the cannabis plant. Dronabinol is the INN for the pure (–)-trans9-tetrahydrocannabinol isomer of tetrahydrocannabinol (shown here)