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CHEBI:133058 - 2''-hydroxycannabidiol

ChEBI IDCHEBI:133058
ChEBI Name2''-hydroxycannabidiol
Stars
DefinitionA hydroxy-cannabidiol that is cannabidiol in which one of the two hydrogens at position 2 of the pentyl chain has been replaced by a hydroxy group. It is a metabolite 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)CCC(C)=C[C@H]1c1c(O)cc(CC(O)CCC)cc1O
InChIInChI=1S/C21H30O3/c1-5-6-16(22)10-15-11-19(23)21(20(24)12-15)18-9-14(4)7-8-17(18)13(2)3/h9,11-12,16-18,22-24H,2,5-8,10H2,1,3-4H3/t16?,17-,18+/m0/s1
InChIKeyPVRJAZVKVQMBIZ-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)
2''-hydroxycannabidiol (CHEBI:133058) has role human xenobiotic metabolite (CHEBI:76967)
2''-hydroxycannabidiol (CHEBI:133058) is a hydroxy-cannabidiol (CHEBI:133048)
2''-hydroxycannabidiol (CHEBI:133058) is a olefinic compound (CHEBI:78840)
2''-hydroxycannabidiol (CHEBI:133058) is a resorcinols (CHEBI:33572)
2''-hydroxycannabidiol (CHEBI:133058) is a secondary alcohol (CHEBI:35681)
IUPAC Name 
(1'R,2'R)-4-(2-hydroxypentyl)-5'-methyl-2'-(prop-1-en-2-yl)-1',2',3',4'-tetrahydrobiphenyl-2,6-diol
Synonyms  Source
2''-HO-CBDChEBI
2''-OH-cannabidiolChEBI
2''-OH-CBDChEBI
2''-hydroxy-CBDChEBI
2''-HO-cannabidiolChEBI
2''-hydroxy-cannabidiolChEBI
Registry NumbersSources
Reaxys:22690712Reaxys
Citations