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CHEBI:77273 - 11-nor-9-carboxy-Δ9-tetrahydrocannabinol

ChEBI IDCHEBI:77273
ChEBI Name11-nor-9-carboxy-Δ9-tetrahydrocannabinol
Stars
ASCII Name11-nor-9-carboxy-Delta(9)-tetrahydrocannabinol
DefinitionA phytocannabinoid that is Δ9-tetrahydrocannabinol in which the C-11 methyl has been fully oxidised to a carboxy group. Further enzymatic oxidation product of 11-hydroxy-Δ9-tetrahydrocannabinol.
Last Modified7 February 2014
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC21H28O4
Net Charge0
Average Mass344.451
Monoisotopic Mass344.19876
SMILES[H][C@@]12C=C(C(=O)O)CC[C@@]1([H])C(C)(C)Oc1cc(CCCCC)cc(O)c12
InChIInChI=1S/C21H28O4/c1-4-5-6-7-13-10-17(22)19-15-12-14(20(23)24)8-9-16(15)21(2,3)25-18(19)11-13/h10-12,15-16,22H,4-9H2,1-3H3,(H,23,24)/t15-,16-/m1/s1
InChIKeyYOVRGSHRZRJTLZ-HZPDHXFCSA-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-nor-9-carboxy-Δ9-tetrahydrocannabinol (CHEBI:77273) has functional parent Δ9-tetrahydrocannabinol (CHEBI:66964)
11-nor-9-carboxy-Δ9-tetrahydrocannabinol (CHEBI:77273) has role human xenobiotic metabolite (CHEBI:76967)
11-nor-9-carboxy-Δ9-tetrahydrocannabinol (CHEBI:77273) is a phytocannabinoid (CHEBI:67196)
IUPAC Name 
(6aR,10aR)-1-hydroxy-6,6-dimethyl-3-pentyl-6a,7,8,10a-tetrahydro-6H-benzo[c]chromene-9-carboxylic acid
Synonyms  Source
(6aR,10aR)-6a,7,8,10a-tetrahydro-1-hydroxy-6,6-dimethyl-3-pentyl-6H-dibenzo[b,d]pyran-9-carboxylic acidChEBI
11-nor-9-carboxy-THCChEBI
THC-11-oic acidChEBI
11-nor-9-carboxy-delta-9-tetrahydrocannabinolChEBI
THC-COOHChEBI
11-COOH-THCChEBI
Manual XrefsDatabases
11-nor-9-Carboxy-THCWikipedia
Registry NumbersSources
Reaxys:6374032Reaxys
CAS:56354-06-4ChemIDplus
Citations