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CHEBI:77270 - 11-hydroxy-Δ9-tetrahydrocannabinol

ChEBI IDCHEBI:77270
ChEBI Name11-hydroxy-Δ9-tetrahydrocannabinol
Stars
ASCII Name11-hydroxy-Delta(9)-tetrahydrocannabinol
DefinitionA phytocannabinoid that is Δ9-tetrahydrocannabinol in which the methyl group at C-11 has been hydroxylated . Major metabolite of Δ9-tetrahydrocannabinol.
Last Modified7 February 2014
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC21H30O3
Net Charge0
Average Mass330.468
Monoisotopic Mass330.21949
SMILES[H][C@@]12C=C(CO)CC[C@@]1([H])C(C)(C)Oc1cc(CCCCC)cc(O)c12
InChIInChI=1S/C21H30O3/c1-4-5-6-7-14-11-18(23)20-16-10-15(13-22)8-9-17(16)21(2,3)24-19(20)12-14/h10-12,16-17,22-23H,4-9,13H2,1-3H3/t16-,17-/m1/s1
InChIKeyYCBKSSAWEUDACY-IAGOWNOFSA-N
Wikipedia
Roles Classification
Biological Roles:
human xenobiotic metabolite  Any human metabolite produced by metabolism of a xenobiotic compound in humans.
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
cannabinoid receptor agonist  An agonist that binds to and activates cannabinoid receptors.
cannabinoid receptor agonist  An agonist that binds to and activates cannabinoid receptors.
ChEBI Ontology
Outgoing Relation(s)
11-hydroxy-Δ9-tetrahydrocannabinol (CHEBI:77270) has functional parent Δ9-tetrahydrocannabinol (CHEBI:66964)
11-hydroxy-Δ9-tetrahydrocannabinol (CHEBI:77270) has role human xenobiotic metabolite (CHEBI:76967)
11-hydroxy-Δ9-tetrahydrocannabinol (CHEBI:77270) is a phytocannabinoid (CHEBI:67196)
IUPAC Name 
(6aR,10aR)-9-(hydroxymethyl)-6,6-dimethyl-3-pentyl-6a,7,8,10a-tetrahydro-6H-benzo[c]chromen-1-ol
Synonyms  Source
11-Hydroxy-delta(9)-tetrahydrocannabinolChemIDplus
11-Hydroxy-delta(sup 9)tetrahydrocannabinolChemIDplus
11-HydroxytetrahydrocannabinolChemIDplus
(−)-11-hydroxy-Δ9-tetrahydrocannabinolChEBI
(−)-11-hydroxy-Δ9-THCChEBI
11-OH-THCChEBI
Manual XrefsDatabases
11-Hydroxy-THCWikipedia
HMDB0060906HMDB
Registry NumbersSources
Beilstein:4259929Beilstein
Reaxys:4697849Reaxys
CAS:36557-05-8ChemIDplus
Citations