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CHEBI:78029 - toralactone

ChEBI IDCHEBI:78029
ChEBI Nametoralactone
Stars
DefinitionAn organic heterotricyclic compound that is 9,10-dihydroxy-1H-benzo[g]isochromen-1-one substituted at positions 3 and 7 by methyl and methoxy groups respectively.
Last Modified9 March 2020
SubmitterSBeisken
DownloadsMolfile
FormulaC15H12O5
Net Charge0
Average Mass272.256
Monoisotopic Mass272.06847
SMILESCOc1cc(O)c2c(O)c3c(=O)oc(C)cc3cc2c1
InChIInChI=1S/C15H12O5/c1-7-3-8-4-9-5-10(19-2)6-11(16)12(9)14(17)13(8)15(18)20-7/h3-6,16-17H,1-2H3
InChIKeyWEHXAEGTVPWKDY-UHFFFAOYSA-N
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)
toralactone (CHEBI:78029) has functional parent nor-toralactone (CHEBI:146018)
toralactone (CHEBI:78029) has role plant metabolite (CHEBI:76924)
toralactone (CHEBI:78029) is a aromatic ether (CHEBI:35618)
toralactone (CHEBI:78029) is a lactone (CHEBI:25000)
toralactone (CHEBI:78029) is a naphtho-α-pyrone (CHEBI:146280)
toralactone (CHEBI:78029) is a organic heterotricyclic compound (CHEBI:26979)
toralactone (CHEBI:78029) is a phenols (CHEBI:33853)
toralactone (CHEBI:78029) is a polyketide (CHEBI:26188)
IUPAC Name 
9,10-dihydroxy-7-methoxy-3-methyl-1H-benzo[g]isochromen-1-one
Synonym  Source
9,10-Dihydroxy-7-methoxy-3-methyl-1H-naphtho(2,3-c)pyran-1-oneChemIDplus
UniProt Name  Source
toralactoneUniProt
Manual XrefsDatabases
C17673KEGG COMPOUND
HMDB0038549HMDB
WO0160390Patent
US2004044067Patent
EP1256350Patent
Registry NumbersSources
Reaxys:5758274Reaxys
CAS:41743-74-2KEGG COMPOUND
CAS:41743-74-2ChemIDplus
Citations