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CHEBI:133049 - 6α-hydroxycannabidiol

ChEBI IDCHEBI:133049
ChEBI Name6α-hydroxycannabidiol
Stars
ASCII Name6alpha-hydroxycannabidiol
DefinitionA hydroxy-cannabidiol that is cannabidiol in which the 6-pro-S hydrogen of the cyclohexene ring has been replaced by a hydroxy group. It is one of the main metabolites of cannabidiol by human liver microsomes, produced by CYP2C19 and CYP3A.
Last Modified17 August 2016
SubmitterGareth Owen
DownloadsMolfile
FormulaC21H30O3
Net Charge0
Average Mass330.468
Monoisotopic Mass330.21949
SMILES[H][C@]1(O)C[C@@]([H])(C(=C)C)[C@H](c2c(O)cc(CCCCC)cc2O)C=C1C
InChIInChI=1S/C21H30O3/c1-5-6-7-8-15-10-19(23)21(20(24)11-15)17-9-14(4)18(22)12-16(17)13(2)3/h9-11,16-18,22-24H,2,5-8,12H2,1,3-4H3/t16-,17+,18-/m0/s1
InChIKeyYYLPAYRRVSQJRR-KSZLIROESA-N
Roles Classification
Biological Role:
human xenobiotic metabolite  Any human metabolite produced by metabolism of a xenobiotic compound in humans.
ChEBI Ontology
Outgoing Relation(s)
6α-hydroxycannabidiol (CHEBI:133049) has role human xenobiotic metabolite (CHEBI:76967)
6α-hydroxycannabidiol (CHEBI:133049) is a hydroxy-cannabidiol (CHEBI:133048)
6α-hydroxycannabidiol (CHEBI:133049) is a olefinic compound (CHEBI:78840)
6α-hydroxycannabidiol (CHEBI:133049) is a resorcinols (CHEBI:33572)
6α-hydroxycannabidiol (CHEBI:133049) is a secondary alcohol (CHEBI:35681)
IUPAC Name 
(1'R,2'R,4'S)-5'-methyl-4-pentyl-2'-(prop-1-en-2-yl)-1',2',3',4'-tetrahydrobiphenyl-2,4',6-triol
Synonyms  Source
6α-hydroxy-CBDChEBI
6α-HO-CBDChEBI
6α-hydroxy-cannabidiolChEBI
6α-OH-CBDChEBI
6α-HO-cannabidiolChEBI
6α-OH-cannabidiolChEBI
Registry NumbersSources
Reaxys:7283366Reaxys
Citations