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CHEBI:69478 - cannabidiol

Default Structure
ChEBI IDCHEBI:69478
ChEBI Namecannabidiol
Stars
DefinitionAn 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.
Secondary ChEBI IDCHEBI:3358
Last Modified7 June 2023
DownloadsMolfile
FormulaC21H30O2
Net Charge0
Average Mass314.469
Monoisotopic Mass314.22458
SMILES[H][C@@]1(C(=C)C)CCC(C)=C[C@H]1c1c(O)cc(CCCCC)cc1O
InChIInChI=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
InChIKeyQHMBSVQNZZTUGM-ZWKOTPCHSA-N
Wikipedia
Species of MetaboliteComponentSourceComments
Cannabis sativa (ncbitaxon:3483) aerial part (BTO:0001658) PubMed (21902175) Acetone extract of Dried, powdered and heated flowered aerial parts
Roles Classification
Biological Roles:
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.
cannabinoid receptor agonist  An agonist that binds to and activates cannabinoid receptors.
cannabinoid receptor agonist  An agonist that binds to and activates cannabinoid receptors.
ChEBI Ontology
Outgoing Relation(s)
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 Relation(s)
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  Source
cannabidiolWHO MedNet
cannabidiolWHO MedNet
cannabidiolWHO MedNet
cannabidiolumWHO MedNet
Synonyms  Source
(−)-cannabidiolChemIDplus
(−)-CBDChemIDplus
(−)-trans-2-p-mentha-1,8-dien-3-yl-5-pentylresorcinolChemIDplus
(−)-trans-cannabidiolChemIDplus
Δ1(2)-trans-cannabidiolChemIDplus
Manual XrefsDatabases
5288DrugCentral
C00002641KNApSAcK
C07578KEGG COMPOUND
CannabidiolWikipedia
CPD-7173MetaCyc
DB09061DrugBank
LMPK13120001LIPID MAPS
P0TPDBeChem
US2304669Patent
Registry NumbersSources
Reaxys:2222023Reaxys
CAS:13956-29-1NIST Chemistry WebBook
CAS:13956-29-1ChemIDplus
CAS:13956-29-1KEGG COMPOUND
Citations