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CHEBI:133059 - 3''-hydroxycannabidiol

ChEBI IDCHEBI:133059
ChEBI Name3''-hydroxycannabidiol
Stars
DefinitionA hydroxy-cannabidiol that is cannabidiol in which one of the two hydrogens at position 3 of the pentyl chain has been replaced by a hydroxy group. It is a metabolite of cannabidiol by human liver microsomes.
Last Modified13 June 2022
SubmitterGareth Owen
DownloadsMolfile
FormulaC21H30O3
Net Charge0
Average Mass330.468
Monoisotopic Mass330.21949
SMILES[H][C@@]1(C(=C)C)CCC(C)=C[C@H]1c1c(O)cc(CCC(O)CC)cc1O
InChIInChI=1S/C21H30O3/c1-5-16(22)8-7-15-11-19(23)21(20(24)12-15)18-10-14(4)6-9-17(18)13(2)3/h10-12,16-18,22-24H,2,5-9H2,1,3-4H3/t16?,17-,18+/m0/s1
InChIKeyOEOXRPUFTSADIH-UQJFVLDMSA-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)
3''-hydroxycannabidiol (CHEBI:133059) has role human xenobiotic metabolite (CHEBI:76967)
3''-hydroxycannabidiol (CHEBI:133059) is a hydroxy-cannabidiol (CHEBI:133048)
3''-hydroxycannabidiol (CHEBI:133059) is a olefinic compound (CHEBI:78840)
3''-hydroxycannabidiol (CHEBI:133059) is a resorcinols (CHEBI:33572)
3''-hydroxycannabidiol (CHEBI:133059) is a secondary alcohol (CHEBI:35681)
IUPAC Name 
(1'R,2'R)-4-(3-hydroxypentyl)-5'-methyl-2'-(prop-1-en-2-yl)-1',2',3',4'-tetrahydrobiphenyl-2,6-diol
Synonyms  Source
3''-hydroxy-CBDChEBI
3''-OH-cannabidiolChEBI
3''-OH-CBDChEBI
3''-HO-CBDChEBI
3''-hydroxy-cannabidiolChEBI
3''-HO-cannabidiolChEBI
Registry NumbersSources
Reaxys:22690710Reaxys
CAS:42965-06-0ChemIDplus
Citations