CHEBI:69478 - cannabidiol

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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 0
Average Mass 314.462
Monoisotopic Mass 314.225
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 C=1(C(=CC(=CC1O)CCCCC)O)[C@H]2[C@](CCC(=C2)C)([H])C(C)=C
Metabolite of Species Details
Cannabis sativa (NCBI:3483) Found in aerial part (BTO:0001658). Acetone extract of Dried, powdered and heated flowered aerial parts See: PubMed
Roles Classification
Biological Role(s): 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 )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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
INNs Sources
cannabidiol WHO MedNet
cannabidiol WHO MedNet
cannabidiol WHO MedNet
cannabidiolum WHO MedNet
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
Database Links Databases
C00002641 KNApSAcK
C07578 KEGG COMPOUND
Cannabidiol Wikipedia
CPD-7173 MetaCyc
DB09061 DrugBank
LMPK13120001 LIPID MAPS
US2304669 Patent
View more database links
Registry Numbers Types Sources
13956-29-1 CAS Registry Number KEGG COMPOUND
13956-29-1 CAS Registry Number NIST Chemistry WebBook
13956-29-1 CAS Registry Number ChemIDplus
2222023 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
25703248 PubMed citation Europe PMC
26845349 PubMed citation Europe PMC
26976797 PubMed citation Europe PMC
27067870 PubMed citation Europe PMC
27157263 PubMed citation Europe PMC
27215129 PubMed citation Europe PMC
27267317 PubMed citation Europe PMC
27285147 PubMed citation Europe PMC
27344041 PubMed citation Europe PMC
27374322 PubMed citation Europe PMC
27430346 PubMed citation Europe PMC
27471947 PubMed citation Europe PMC
27506704 PubMed citation Europe PMC
Last Modified
17 August 2016