CHEBI:69041 - suberosin

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ChEBI Name suberosin
ChEBI ID CHEBI:69041
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C15H16O3
Net Charge 0
Average Mass 244.286
Monoisotopic Mass 244.10994
InChI InChI=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
InChIKey RSZDAYHEZSRVHS-UHFFFAOYSA-N
SMILES C1=2OC(=O)C=CC1=CC(=C(C2)OC)CC=C(C)C
Metabolite of Species Details
Citropsis articulata (IPNI:771824-1) Found in root (BTO:0001188). Previous component: root bark; Cyclohexane and ethyl acetate extract of dried, powdered root bark. See: PubMed
Cachrys cristata (NCBI:txid1079708) Found in fruit body (BTO:0000487). Found in the fruit oil See: PubMed
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.
Application(s): anticoagulant
An agent that prevents blood clotting.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Sources
7-Methoxy-6-(3-methyl-2-buten-1-yl)-2H-chromen-2-one ChEBI
7-methoxy-6-prenylcoumarin ChEBI
Manual Xref Database
C00037864 KNApSAcK
View more database links
Registry Numbers Types Sources
199431 Reaxys Registry Number Reaxys
581-31-7 CAS Registry Number NIST Chemistry WebBook
581-31-7 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
17179947 PubMed citation Europe PMC
21985060 PubMed citation Europe PMC
25017518 PubMed citation Europe PMC
Last Modified
17 February 2017
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);