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CHEBI:66804 - obtusafuran

ChEBI IDCHEBI:66804
ChEBI Nameobtusafuran
Stars
DefinitionA member of the class of 1-benzofurans that is 2,3-dihydro-1-benzofuran substituted by a hydroxy group at position 5, a methoxy group at position 6, a methyl group at position 3 and a phenyl group at position 2. Isolated from Dalbergia louveli, it exhibits antiplasmodial activity.
Last Modified17 April 2013
DownloadsMolfile
FormulaC16H16O3
Net Charge0
Average Mass256.301
Monoisotopic Mass256.10994
SMILESCOc1cc2c(cc1O)[C@@H](C)[C@H](c1ccccc1)O2
InChIInChI=1S/C16H16O3/c1-10-12-8-13(17)15(18-2)9-14(12)19-16(10)11-6-4-3-5-7-11/h3-10,16-17H,1-2H3/t10-,16-/m1/s1
InChIKeyFRERFZXINXYHDY-QLJPJBMISA-N
Species of MetaboliteComponentSourceComments
Dalbergia louveli (IPNI:490305-1) heartwood (PO:0004512) PubMed (14640516)
Roles Classification
Biological Roles:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
antiplasmodial drug  An antiparasitic drug which is effective against Apicomplexan parasites in the genus Plasmodium. The genus contains over 200 species and includes those responsible for malaria.
Application:
antiplasmodial drug  An antiparasitic drug which is effective against Apicomplexan parasites in the genus Plasmodium. The genus contains over 200 species and includes those responsible for malaria.
ChEBI Ontology
Outgoing Relation(s)
obtusafuran (CHEBI:66804) has role antiplasmodial drug (CHEBI:64915)
obtusafuran (CHEBI:66804) has role metabolite (CHEBI:25212)
obtusafuran (CHEBI:66804) is a 1-benzofurans (CHEBI:38830)
obtusafuran (CHEBI:66804) is a aromatic ether (CHEBI:35618)
obtusafuran (CHEBI:66804) is a phenols (CHEBI:33853)
IUPAC Name 
(2R,3R)-6-methoxy-3-methyl-2-phenyl-2,3-dihydro-1-benzofuran-5-ol
Synonym  Source
(2R,3R)-5-hydroxy-6-methoxy-3-methyl-2-phenyl-2,3-dihydrobenzofuranChEBI
Registry NumbersSources
Reaxys:1431004Reaxys
Citations