cannabidiol (CHEBI:69478)

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ChEBI Name	cannabidiol

ChEBI ID	CHEBI:69478

Definition	An cannabinoid that is cyclohexene which is substituted by a methyl group at position 1, a 2,6-dihydroxy-4-pentylphenyl group at position 3, and a prop-1-en-2-yl group at position 4.

Stars	This entity has been manually annotated by the ChEBI Team.

Secondary ChEBI IDs	CHEBI:3358

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Formula

C21H30O2

Net Charge

Average Mass

314.469

Monoisotopic Mass

314.22458

InChI

InChI=1S/C21H30O2/c1-5-6-7-8-16-12-19(22)21(20(23)13-16)18-11-15(4)9-10-17(18)14(2)3/h11-13,17-18,22-23H,2,5-10H2,1,3-4H3/t17-,18+/m0/s1

InChIKey

QHMBSVQNZZTUGM-ZWKOTPCHSA-N

SMILES

[H][C@]1(CCC(C)=C[C@H]1C1=C(O)C=C(CCCCC)C=C1O)C(C)=C

Metabolite of Species	Details
Cannabis sativa (NCBI:txid3483)	Found in aerial part (BTO:0001658). Acetone extract of Dried, powdered and heated flowered aerial parts See: PubMed

Roles Classification
Biological Role(s):	antimicrobial agent A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans. plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms. metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites. (via phytocannabinoid ) cannabinoid receptor agonist An agonist that binds to and activates cannabinoid receptors. (via cannabinoid )

ChEBI Ontology
Outgoing	cannabidiol (CHEBI:69478) has role antimicrobial agent (CHEBI:33281) cannabidiol (CHEBI:69478) has role plant metabolite (CHEBI:76924) cannabidiol (CHEBI:69478) is a olefinic compound (CHEBI:78840) cannabidiol (CHEBI:69478) is a phytocannabinoid (CHEBI:67196) cannabidiol (CHEBI:69478) is a resorcinols (CHEBI:33572)

Incoming	hydroxy-cannabidiol (CHEBI:133048) has functional parent cannabidiol (CHEBI:69478)

IUPAC Name

(1'R,2'R)-5'-methyl-4-pentyl-2'-(prop-1-en-2-yl)-1',2',3',4'-tetrahydrobiphenyl-2,6-diol

Synonyms	Sources
(−)-cannabidiol	ChemIDplus
(−)-CBD	ChemIDplus
(−)-trans-2-p-mentha-1,8-dien-3-yl-5-pentylresorcinol	ChemIDplus
(−)-trans-cannabidiol	ChemIDplus
Δ¹⁽²⁾-trans-cannabidiol	ChemIDplus

Last Modified

07 June 2023