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CHEBI:167557 - cannabichromenic acid

ChEBI IDCHEBI:167557
ChEBI Namecannabichromenic acid
Stars
DefinitionA chromenol that is 2H-chromene substituted by methyl, 2-methylpent-2-en-5-yl, hydroxy, carboxy and pentyl groups at positions 2,2,5,6 and 7, respectively.
Last Modified24 February 2021
SubmitterAdnan
DownloadsMolfile
FormulaC22H30O4
Net Charge0
Average Mass358.478
Monoisotopic Mass358.21441
SMILESCCCCCc1cc2c(c(O)c1C(=O)O)C=CC(C)(CCC=C(C)C)O2
InChIInChI=1S/C22H30O4/c1-5-6-7-10-16-14-18-17(20(23)19(16)21(24)25)11-13-22(4,26-18)12-8-9-15(2)3/h9,11,13-14,23H,5-8,10,12H2,1-4H3,(H,24,25)
InChIKeyHRHJHXJQMNWQTF-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Cannabis sativa (ncbitaxon:3483) - DOI (10.1038/s41598-020-60172-6)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Roles:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
antibacterial agent  A substance (or active part thereof) that kills or slows the growth of bacteria.
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)
cannabichromenic acid (CHEBI:167557) has role antibacterial agent (CHEBI:33282)
cannabichromenic acid (CHEBI:167557) has role plant metabolite (CHEBI:76924)
cannabichromenic acid (CHEBI:167557) is a chromenol (CHEBI:39436)
cannabichromenic acid (CHEBI:167557) is a hydroxy monocarboxylic acid (CHEBI:35868)
cannabichromenic acid (CHEBI:167557) is a olefinic compound (CHEBI:78840)
cannabichromenic acid (CHEBI:167557) is a phytocannabinoid (CHEBI:67196)
cannabichromenic acid (CHEBI:167557) is conjugate acid of cannabichromenate (CHEBI:167554)
Incoming Relation(s)
cannabichromenate (CHEBI:167554) is conjugate base of cannabichromenic acid (CHEBI:167557)
IUPAC Name 
5-hydroxy-2-methyl-2-(4-methylpent-3-en-1-yl)-7-pentyl-2H-chromene-6-carboxylic acid
Synonyms  Source
(+)-cannabichromenic acidChemIDplus
CBCAChEBI
5-hydroxy-2-methyl-2-(4-methylpent-3-en-1-yl)-7-pentyl-2H-1-benzopyran-6-carboxylic acidIUPAC
5-hydroxy-2-methyl-2-(4-methylpent-3-enyl)-7-pentylchromene-6-carboxylic acidChEBI
Manual XrefsDatabases
C00053033KNApSAcK
GB2459125Patent
WO2009125198Patent
2341420ChemSpider
Registry NumbersSources
CAS:20408-52-0ChemIDplus
Citations