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CHEBI:133056 - 1''-hydroxycannabidiol

ChEBI IDCHEBI:133056
ChEBI Name1''-hydroxycannabidiol
Stars
DefinitionA hydroxy-cannabidiol that is cannabidiol in which one of the two hydrogens at position 1 of the pentyl chain has been replaced by a hydroxy group. It is a metabolite of cannabidiol by human liver microsomes, produced particularly by CYP1A.
Last Modified17 August 2016
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(C(O)CCCC)cc1O
InChIInChI=1S/C21H30O3/c1-5-6-7-18(22)15-11-19(23)21(20(24)12-15)17-10-14(4)8-9-16(17)13(2)3/h10-12,16-18,22-24H,2,5-9H2,1,3-4H3/t16-,17+,18?/m0/s1
InChIKeyOEWBQBNIVUMUKU-MYFVLZFPSA-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)
1''-hydroxycannabidiol (CHEBI:133056) has role human xenobiotic metabolite (CHEBI:76967)
1''-hydroxycannabidiol (CHEBI:133056) is a hydroxy-cannabidiol (CHEBI:133048)
1''-hydroxycannabidiol (CHEBI:133056) is a olefinic compound (CHEBI:78840)
1''-hydroxycannabidiol (CHEBI:133056) is a resorcinols (CHEBI:33572)
1''-hydroxycannabidiol (CHEBI:133056) is a secondary alcohol (CHEBI:35681)
IUPAC Name 
(1'R,2'R)-4-(1-hydroxypentyl)-5'-methyl-2'-(prop-1-en-2-yl)-1',2',3',4'-tetrahydrobiphenyl-2,6-diol
Synonyms  Source
1''-OH-CBDChEBI
1''-OH-cannabidiolChEBI
1''-hydroxy-cannabidiolChEBI
1''-HO-cannabidiolChEBI
1''-HO-CBDChEBI
1''-hydroxy-CBDChEBI
Registry NumbersSources
Reaxys:22690711Reaxys
Citations