CHEBI:133059 - 3''-hydroxycannabidiol

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ChEBI Name 3''-hydroxycannabidiol
ChEBI ID CHEBI:133059
Definition A hydroxy-cannabidiol that is cannabidiol in which one of the two hydrogens at position 3 of the pentyl chain has been replaced by a hydroxy group.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.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information ZINC000004655431
Download Molfile XML SDF
Formula C21H30O3
Net Charge 0
Average Mass 330.462
Monoisotopic Mass 330.21949
InChI InChI=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
InChIKey OEOXRPUFTSADIH-UQJFVLDMSA-N
SMILES C=1(C(=CC(=CC1O)CCC(CC)O)O)[C@H]2[C@](CCC(=C2)C)([H])C(C)=C
Roles Classification
Biological Role(s): human xenobiotic metabolite
Any human metabolite produced by metabolism of a xenobiotic compound in humans.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Sources
3''-HO-cannabidiol ChEBI
3''-HO-CBD ChEBI
3''-hydroxy-cannabidiol ChEBI
3''-hydroxy-CBD ChEBI
3''-OH-cannabidiol ChEBI
3''-OH-CBD ChEBI
Registry Numbers Types Sources
22690710 Reaxys Registry Number Reaxys
42965-06-0 CAS Registry Number ChemIDplus
Citation Type Source
21704641 PubMed citation Europe PMC
Last Modified
13 June 2022