8-Cinnamoyl-3,4-dihydro-5,7-dihydroxy-4-phenylcoumarin (CHEBI:185494)

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	8-Cinnamoyl-3,4-dihydro-5,7-dihydroxy-4-phenylcoumarin

ChEBI ID	CHEBI:185494

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C24H18O5

Net Charge

Average Mass

386.403

Monoisotopic Mass

386.11542

InChI

InChI=1S/C24H18O5/c25-18(12-11-15-7-3-1-4-8-15)23-20(27)14-19(26)22-17(13-21(28)29-24(22)23)16-9-5-2-6-10-16/h1-12,14,17,26-27H,13H2/b12-11+

InChIKey

XNMQCWKDPWDEMC-VAWYXSNFSA-N

SMILES

O1C2=C(C(CC1=O)C3=CC=CC=C3)C(O)=CC(O)=C2C(=O)/C=C/C4=CC=CC=C4

Metabolite of Species	Details
Mus musculus (NCBI:txid10090)	Found in feces (BTO:0000440). of strain C57BL/6 Mouse [NCIT:C14424] See: MetaboLights Study

Roles Classification
Biological Role(s):	plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms. (via diarylheptanoid )

ChEBI Ontology
Outgoing	8-Cinnamoyl-3,4-dihydro-5,7-dihydroxy-4-phenylcoumarin (CHEBI:185494) is a diarylheptanoid (CHEBI:78802)

IUPAC Name

5,7-dihydroxy-4-phenyl-8-[(E)-3-phenylprop-2-enoyl]-3,4-dihydrochromen-2-one