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CHEBI:133055 - 4''-hydroxycannabidiol

ChEBI IDCHEBI:133055
ChEBI Name4''-hydroxycannabidiol
Stars
DefinitionA hydroxy-cannabidiol that is cannabidiol in which one of the hydrogens at position 4 of the pentyl chain has been replaced by a hydroxy group. It is one of the main metabolites of cannabidiol by human liver microsomes, produced particularly 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(CCCC(C)O)cc1O
InChIInChI=1S/C21H30O3/c1-13(2)17-9-8-14(3)10-18(17)21-19(23)11-16(12-20(21)24)7-5-6-15(4)22/h10-12,15,17-18,22-24H,1,5-9H2,2-4H3/t15?,17-,18+/m0/s1
InChIKeyUZIVICVRBBCBHK-XSRYCBBQSA-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)
4''-hydroxycannabidiol (CHEBI:133055) has role human xenobiotic metabolite (CHEBI:76967)
4''-hydroxycannabidiol (CHEBI:133055) is a hydroxy-cannabidiol (CHEBI:133048)
4''-hydroxycannabidiol (CHEBI:133055) is a olefinic compound (CHEBI:78840)
4''-hydroxycannabidiol (CHEBI:133055) is a resorcinols (CHEBI:33572)
4''-hydroxycannabidiol (CHEBI:133055) is a secondary alcohol (CHEBI:35681)
IUPAC Name 
(1'R,2'R)-4-(4-hydroxypentyl)-5'-methyl-2'-(prop-1-en-2-yl)-1',2',3',4'-tetrahydrobiphenyl-2,6-diol
Synonyms  Source
4''-HO-cannabidiolChEBI
4''-OH-CBDChEBI
4''-hydroxy-CBDChEBI
4''-hydroxy-cannabidiolChEBI
4''-HO-CBDChEBI
4''-OH-cannabidiolChEBI
Registry NumbersSources
Reaxys:22690713Reaxys
Citations