EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:133052 - 6β-hydroxycannabidiol

ChEBI IDCHEBI:133052
ChEBI Name6β-hydroxycannabidiol
Stars
ASCII Name6beta-hydroxycannabidiol
DefinitionA hydroxy-cannabidiol that is cannabidiol in which the 6-pro-R hydrogen of the cyclohexene ring has been replaced by a hydroxy group.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.
Last Modified17 August 2016
SubmitterGareth Owen
DownloadsMolfile

FormulaC21H30O3
Net Charge0
Average Mass330.468
Monoisotopic Mass330.21949
SMILES[H][C@@]1(C(=C)C)C[C@@H](O)C(C)=C[C@H]1c1c(O)cc(CCCCC)cc1O
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-RCCFBDPRSA-N

Roles Classification

ChEBI Ontology
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  Source
6β-OH-CBDChEBI
6β-hydroxy-CBDChEBI
6β-hydroxy-cannabidiolChEBI
6β-HO-CBDChEBI
6β-OH-cannabidiolChEBI
6β-HO-cannabidiolChEBI
Registry NumbersSources
Reaxys:7283367Reaxys
Citations