Isopulegone caffeate (CHEBI:172548)

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	Isopulegone caffeate

ChEBI ID	CHEBI:172548

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C19H24O4

Net Charge

Average Mass

316.397

Monoisotopic Mass

316.16746

InChI

InChI=1S/C19H24O4/c1-13(2)16-7-3-15(4-8-16)12-23-19(22)10-6-14-5-9-17(20)18(21)11-14/h5-6,9-11,15-16,20-21H,1,3-4,7-8,12H2,2H3/b10-6+

InChIKey

SSVXLIRLGPMWSL-UXBLZVDNSA-N

SMILES

O(CC1CCC(CC1)C(C)=C)C(=O)/C=C/C2=CC(O)=C(O)C=C2

Metabolite of Species	Details
Homo sapiens (NCBI:txid9606)	Found in blood plasma (BTO:0000131). See: MetaboLights Study

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

ChEBI Ontology
Outgoing	Isopulegone caffeate (CHEBI:172548) is a hydroxycinnamic acid (CHEBI:24689)

IUPAC Name

(4-prop-1-en-2-ylcyclohexyl)methyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate