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CHEBI:69041 - suberosin

ChEBI IDCHEBI:69041
ChEBI Namesuberosin
Stars
DefinitionA member of the class of coumarins in which the coumarin ring is substituted at positions 6 and 7 by a 3-methylbut-2-en-1-yl group and a methoxy group, respectively. A natural product found in Citropsis articulata.
Last Modified17 February 2017
DownloadsMolfile
FormulaC15H16O3
Net Charge0
Average Mass244.290
Monoisotopic Mass244.10994
SMILESCOc1cc2oc(=O)ccc2cc1CC=C(C)C
InChIInChI=1S/C15H16O3/c1-10(2)4-5-11-8-12-6-7-15(16)18-14(12)9-13(11)17-3/h4,6-9H,5H2,1-3H3
InChIKeyRSZDAYHEZSRVHS-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Citropsis articulata (IPNI:771824-1) root (BTO:0001188) PubMed (21985060) Previous component: root bark; Cyclohexane and ethyl acetate extract of dried, powdered root bark.
Cachrys cristata (ncbitaxon:1079708) fruit body (BTO:0000487) PubMed (22474967) Found in the fruit oil
Roles Classification
Biological Role:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
Application:
anticoagulant  An agent that prevents blood clotting.
ChEBI Ontology
Outgoing Relation(s)
suberosin (CHEBI:69041) has functional parent 7-demethylsuberosin (CHEBI:69042)
suberosin (CHEBI:69041) has role anticoagulant (CHEBI:50249)
suberosin (CHEBI:69041) has role plant metabolite (CHEBI:76924)
suberosin (CHEBI:69041) is a aromatic ether (CHEBI:35618)
suberosin (CHEBI:69041) is a coumarins (CHEBI:23403)
IUPAC Name 
7-methoxy-6-(3-methylbut-2-en-1-yl)-2H-chromen-2-one
Synonyms  Source
7-Methoxy-6-(3-methyl-2-buten-1-yl)-2H-chromen-2-oneChEBI
7-methoxy-6-prenylcoumarinChEBI
Manual XrefsDatabases
C00037864KNApSAcK
Registry NumbersSources
Reaxys:199431Reaxys
CAS:581-31-7ChemIDplus
CAS:581-31-7NIST Chemistry WebBook
Citations