columbianadin (CHEBI:132624)

ChEBI > Main

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name	columbianadin

ChEBI ID	CHEBI:132624

Definition	An α,β-unsaturated carboxylic ester obtained by formal condensation of the carboxy group of angelic acid with the hydroxy group of 2-[(8S)-2-oxo-8,9-dihydro-2H-furo[2,3-h][1]benzopyran-8-yl]propan-2-ol.

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

Submitter	qingping liu

Supplier Information

Download	Molfile XML SDF

Formula

C19H20O5

Net Charge

Average Mass

328.360

Monoisotopic Mass

328.13107

InChI

InChI=1S/C19H20O5/c1-5-11(2)18(21)24-19(3,4)15-10-13-14(22-15)8-6-12-7-9-16(20)23-17(12)13/h5-9,15H,10H2,1-4H3/b11-5-/t15-/m0/s1

InChIKey

JRIBPWOXWIRQOQ-GHAIFCDISA-N

SMILES

O1[C@](CC2=C1C=CC3=C2OC(=O)C=C3)([H])C(OC(=O)/C(/C)=C\C)(C)C

Metabolite of Species	Details
Rattus norvegicus (NCBI:txid10116)	See: PubMed
Heracleum candolleaum (NCBI:txid1162817)	Found in root (BTO:0001188). See: PubMed
Heracleum candolleaum (NCBI:txid1162817)	Found in seed (BTO:0001226). See: PubMed
Peucedanum palustre (NCBI:txid1572681)	Found in root (BTO:0001188). See: PubMed
Angelica pubescens (NCBI:txid312530)	Found in root (BTO:0001188). See: PubMed
Angelica biserrata (NCBI:txid357970)	Found in root (BTO:0001188). See: PubMed
Zosima absinthifolia (NCBI:txid489418)	See: PubMed
Angelica decursiva (NCBI:txid52491)	Found in root (BTO:0001188). See: PubMed
Peucedanum decursivum (NCBI:txid52491)	See: PubMed

Roles Classification
Biological Role(s):	apoptosis inducer Any substance that induces the process of apoptosis (programmed cell death) in multi-celled organisms. rat metabolite Any mammalian metabolite produced during a metabolic reaction in rat (Rattus norvegicus). plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.

Application(s):	anti-inflammatory agent Any compound that has anti-inflammatory effects. hepatoprotective agent Any compound that is able to prevent damage to the liver. antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms.

ChEBI Ontology
Outgoing	columbianadin (CHEBI:132624) has functional parent angelic acid (CHEBI:36431) columbianadin (CHEBI:132624) has role anti-inflammatory agent (CHEBI:67079) columbianadin (CHEBI:132624) has role antineoplastic agent (CHEBI:35610) columbianadin (CHEBI:132624) has role apoptosis inducer (CHEBI:68495) columbianadin (CHEBI:132624) has role hepatoprotective agent (CHEBI:62868) columbianadin (CHEBI:132624) has role plant metabolite (CHEBI:76924) columbianadin (CHEBI:132624) has role rat metabolite (CHEBI:86264) columbianadin (CHEBI:132624) is a α,β-unsaturated carboxylic ester (CHEBI:51737) columbianadin (CHEBI:132624) is a furanocoumarin (CHEBI:24128)

IUPAC Name

2-[(8S)-2-oxo-8,9-dihydro-2H-furo[2,3-h][1]benzopyran-8-yl]propan-2-yl (2Z)-2-methylbut-2-enoate

Synonym	Source
Zosimin	ChemIDplus

Last Modified

24 November 2016