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CHEBI:2543 - albafuran A

ChEBI IDCHEBI:2543
ChEBI Namealbafuran A
Stars
DefinitionA member of the class of 1-benzofurans that is 1-benzofuran substituted by a hydroxy group at position 6 and a 2-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-3,5-dihydroxyphenyl group at position 2.
Last Modified6 March 2015
DownloadsMolfile
FormulaC24H26O4
Net Charge0
Average Mass378.468
Monoisotopic Mass378.18311
SMILESCC(C)=CCC/C(C)=C/Cc1c(O)cc(O)cc1-c1cc2ccc(O)cc2o1
InChIInChI=1S/C24H26O4/c1-15(2)5-4-6-16(3)7-10-20-21(12-19(26)13-22(20)27)24-11-17-8-9-18(25)14-23(17)28-24/h5,7-9,11-14,25-27H,4,6,10H2,1-3H3/b16-7+
InChIKeyKGOOVUKZICPAIZ-FRKPEAEDSA-N
Species of MetaboliteComponentSourceComments
Centella asiatica (ncbitaxon:48106) - MetaboLights (MTBLS175)
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.
ChEBI Ontology
Outgoing Relation(s)
albafuran A (CHEBI:2543) has role plant metabolite (CHEBI:76924)
albafuran A (CHEBI:2543) is a 1-benzofurans (CHEBI:38830)
albafuran A (CHEBI:2543) is a polyphenol (CHEBI:26195)
IUPAC Name 
4-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-5-(6-hydroxy-1-benzofuran-2-yl)benzene-1,3-diol
Manual XrefsDatabases
C08732KEGG COMPOUND
C00002391KNApSAcK
HMDB0030071HMDB
Registry NumbersSources
Reaxys:5131474Reaxys
CAS:84323-14-8KEGG COMPOUND
CAS:84323-14-8ChemIDplus
Citations