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CHEBI:133062 - 5''-hydroxycannabidiol

ChEBI IDCHEBI:133062
ChEBI Name5''-hydroxycannabidiol
Stars
DefinitionA hydroxy-cannabidiol that is cannabidiol in which one of the hydrogens at position 5 of the pentyl chain has been replaced by a hydroxy group. It is a metabolite of cannabidiol by human liver microsomes.
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(CCCCCO)cc1O
InChIInChI=1S/C21H30O3/c1-14(2)17-9-8-15(3)11-18(17)21-19(23)12-16(13-20(21)24)7-5-4-6-10-22/h11-13,17-18,22-24H,1,4-10H2,2-3H3/t17-,18+/m0/s1
InChIKeyZKGKOAJUWMGRFB-ZWKOTPCHSA-N
ChEBI Ontology
Outgoing Relation(s)
5''-hydroxycannabidiol (CHEBI:133062) is a hydroxy-cannabidiol (CHEBI:133048)
5''-hydroxycannabidiol (CHEBI:133062) is a olefinic compound (CHEBI:78840)
5''-hydroxycannabidiol (CHEBI:133062) is a primary alcohol (CHEBI:15734)
5''-hydroxycannabidiol (CHEBI:133062) is a resorcinols (CHEBI:33572)
IUPAC Name 
(1'R,2'R)-4-(5-hydroxypentyl)-5'-methyl-2'-(prop-1-en-2-yl)-1',2',3',4'-tetrahydrobiphenyl-2,6-diol
Synonyms  Source
5''-hydroxy-CBDChEBI
5''-OH-cannabidiolChEBI
5''-HO-CBDChEBI
5''-OH-CBDChEBI
5''-hydroxy-cannabidiolChEBI
5''-HO-cannabidiolChEBI
Registry NumbersSources
Reaxys:22690714Reaxys
Citations