CHEBI:133052 - 6β-hydroxycannabidiol

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ChEBI Name 6β-hydroxycannabidiol
ChEBI ID CHEBI:133052
ChEBI ASCII Name 6beta-hydroxycannabidiol
Definition A hydroxy-cannabidiol that is cannabidiol in which the 6-pro-R hydrogen of the cyclohexene ring has been replaced by a hydroxy group.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 CYP3A.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C21H30O3
Net Charge 0
Average Mass 330.462
Monoisotopic Mass 330.21949
InChI InChI=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
InChIKey YYLPAYRRVSQJRR-RCCFBDPRSA-N
SMILES C=1(C(=CC(=CC1O)CCCCC)O)[C@H]2[C@](C[C@H](C(=C2)C)O)([H])C(C)=C
Roles Classification
Biological Role(s): human xenobiotic metabolite
Any human metabolite produced by metabolism of a xenobiotic compound in humans.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 6β-hydroxycannabidiol (CHEBI:133052) has role human xenobiotic metabolite (CHEBI:76967)
6β-hydroxycannabidiol (CHEBI:133052) is a hydroxy-cannabidiol (CHEBI:133048)
6β-hydroxycannabidiol (CHEBI:133052) is a olefinic compound (CHEBI:78840)
6β-hydroxycannabidiol (CHEBI:133052) is a resorcinols (CHEBI:33572)
6β-hydroxycannabidiol (CHEBI:133052) is a secondary alcohol (CHEBI:35681)
IUPAC Name
(1'R,2'R,4'R)-5'-methyl-4-pentyl-2'-(prop-1-en-2-yl)-1',2',3',4'-tetrahydrobiphenyl-2,4',6-triol
Synonyms Sources
6β-HO-cannabidiol ChEBI
6β-HO-CBD ChEBI
6β-hydroxy-cannabidiol ChEBI
6β-hydroxy-CBD ChEBI
6β-OH-cannabidiol ChEBI
6β-OH-CBD ChEBI
Registry Number Type Source
7283367 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
21704641 PubMed citation Europe PMC
942726 PubMed citation Europe PMC
Last Modified
17 August 2016