cannabichromenic acid (CHEBI:167557)

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ChEBI Name	cannabichromenic acid

ChEBI ID	CHEBI:167557

Definition	A 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.

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

Supplier Information

Download	Molfile XML SDF

Formula

C22H30O4

Net Charge

Average Mass

358.478

Monoisotopic Mass

358.21441

InChI

InChI=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)

InChIKey

HRHJHXJQMNWQTF-UHFFFAOYSA-N

SMILES

CCCCCC1=CC2=C(C=CC(C)(CCC=C(C)C)O2)C(O)=C1C(O)=O

Metabolite of Species	Details
Cannabis sativa (NCBI:txid3483)	See: DOI

Roles Classification
Chemical Role(s):	Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid )

Biological Role(s):	antibacterial agent A substance (or active part thereof) that kills or slows the growth of bacteria. 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	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	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

Sources

(+)-cannabichromenic acid

ChemIDplus

5-hydroxy-2-methyl-2-(4-methylpent-3-en-1-yl)-7-pentyl-2H-1-benzopyran-6-carboxylic acid

IUPAC

5-hydroxy-2-methyl-2-(4-methylpent-3-enyl)-7-pentylchromene-6-carboxylic acid

ChEBI

CBCA

Note: (2021-02-24) Used as an abbreviation.

ChEBI

Registry Number	Type	Source
20408-52-0	CAS Registry Number	ChemIDplus

Last Modified

24 February 2021