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CHEBI:69478 - cannabidiol

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:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
antimicrobial agent  A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.
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
cannabidiolumWHO MedNet
cannabidiolWHO MedNet
cannabidiolWHO MedNet
cannabidiolWHO MedNet
Synonyms  Source
Δ1(2)-trans-cannabidiolChemIDplus
(−)-trans-cannabidiolChemIDplus
(−)-cannabidiolChemIDplus
(−)-CBDChemIDplus
(−)-trans-2-p-mentha-1,8-dien-3-yl-5-pentylresorcinolChemIDplus
Manual XrefsDatabases
C07578KEGG COMPOUND
C00002641KNApSAcK
LMPK13120001LIPID MAPS
US2304669Patent
CannabidiolWikipedia
DB09061DrugBank
CPD-7173MetaCyc
P0TPDBeChem
5288DrugCentral
Registry NumbersSources
Reaxys:2222023Reaxys
CAS:13956-29-1KEGG COMPOUND
CAS:13956-29-1ChemIDplus
CAS:13956-29-1NIST Chemistry WebBook
Citations