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CHEBI:65414 - antrocapmphin A

ChEBI IDCHEBI:65414
ChEBI Nameantrocapmphin A
Stars
DefinitionA methoxybenzene that is 1,2,5-trimethoxy-3-methylbenzene substituted by a 3-methylbut-3-en-1-yn-1-yl group at position 4. It is isolated from Antrodia camphorata and exhibits anti-inflammatory activity.
Last Modified23 November 2012
DownloadsMolfile
FormulaC15H18O3
Net Charge0
Average Mass246.306
Monoisotopic Mass246.12559
SMILESC=C(C)C#Cc1c(OC)cc(OC)c(OC)c1C
InChIInChI=1S/C15H18O3/c1-10(2)7-8-12-11(3)15(18-6)14(17-5)9-13(12)16-4/h9H,1H2,2-6H3
InChIKeyCPPLWBNAWKMJON-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Taiwanofungus camphoratus (ncbitaxon:196114) - PubMed (17559265) Parasitic fungi on fruiting body of Cinnamomum kanehirai
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
Application:
anti-inflammatory agent  Any compound that has anti-inflammatory effects.
ChEBI Ontology
Outgoing Relation(s)
antrocapmphin A (CHEBI:65414) has role anti-inflammatory agent (CHEBI:67079)
antrocapmphin A (CHEBI:65414) has role metabolite (CHEBI:25212)
antrocapmphin A (CHEBI:65414) is a methoxybenzenes (CHEBI:51683)
IUPAC Name 
1,2,5-trimethoxy-3-methyl-4-(3-methylbut-3-en-1-yn-1-yl)benzene
Registry NumbersSources
Reaxys:11184575Reaxys
Citations