CHEBI:69832 - osthole

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name osthole
ChEBI ID CHEBI:69832
Definition A natural product found in Peucedanum ostruthium and Angelica pubescens.
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C15H16O3
Net Charge 0
Average Mass 244.28570
Monoisotopic Mass 244.110
InChI InChI=1S/C15H16O3/c1-10(2)4-7-12-13(17-3)8-5-11-6-9-14(16)18-15(11)12/h4-6,8-9H,7H2,1-3H3
InChIKey MBRLOUHOWLUMFF-UHFFFAOYSA-N
SMILES COc1ccc2ccc(=O)oc2c1CC=C(C)C
Metabolite of Species Details
Peucedanum ostruthium (NCBI:txid1000424) Found in rhizome (BTO:0001181). Dichloromethane extract of dried, powdered roots and rhizomes See: PubMed
Peucedanum ostruthium (NCBI:txid1000424) Found in root (BTO:0001188). Dichloromethane extract of dried, powdered roots and rhizomes See: PubMed
Angelica pubescens (NCBI:txid312530) See: PubMed
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
antifungal agent
An antimicrobial agent that destroys fungi by suppressing their ability to grow or reproduce.
(via botanical anti-fungal agent )
plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
(via botanical anti-fungal agent )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing osthole (CHEBI:69832) has role metabolite (CHEBI:25212)
osthole (CHEBI:69832) is a botanical anti-fungal agent (CHEBI:86494)
osthole (CHEBI:69832) is a coumarins (CHEBI:23403)
Synonyms Sources
2H-1-Benzopyran-2-one, 7-methoxy-8-(3-methyl-2-butenyl)- ChEBI
Coumarin, 7-methoxy-8-(3-methyl-2-butenyl)- ChEBI
Manual Xrefs Databases
C00002488 KNApSAcK
C09280 KEGG COMPOUND
LSM-3762 LINCS
View more database links
Registry Number Type Source
484-12-8 CAS Registry Number KEGG COMPOUND
Citation Waiting for Citations Type Source
21627108 PubMed citation Europe PMC
Last Modified
25 February 2016
General Comment
2014-10-17 Suggested Classification: ISA:1-benzopyran(CHEBI:38443); ISA:methoxybenzene(CHEBI:51683); ISA:aromatic ether(CHEBI:35618); ISA:pyranone(CHEBI:37963); ISA:enol ether(CHEBI:47985); ISA:enone(CHEBI:51689); ISA:lactone(CHEBI:25000);