CHEBI:78029 - toralactone

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ChEBI Name toralactone
ChEBI ID CHEBI:78029
Definition An 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.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter SBeisken
Supplier Information
Download Molfile XML SDF
Formula C15H12O5
Net Charge 0
Average Mass 272.25280
Monoisotopic Mass 272.06847
InChI InChI=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
InChIKey WEHXAEGTVPWKDY-UHFFFAOYSA-N
SMILES COc1cc(O)c2c(O)c3c(cc(C)oc3=O)cc2c1
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.
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ChEBI Ontology
Outgoing 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
Synonyms Sources
9,10-Dihydroxy-7-methoxy-3-methyl-1H-naphtho(2,3-c)pyran-1-one ChemIDplus
toralactone UniProt
Manual Xrefs Databases
C17673 KEGG COMPOUND
EP1256350 Patent
HMDB0038549 HMDB
US2004044067 Patent
WO0160390 Patent
View more database links
Registry Numbers Types Sources
41743-74-2 CAS Registry Number ChemIDplus
5758274 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
23845556 PubMed citation Europe PMC
4737581 PubMed citation Europe PMC
Last Modified
09 March 2020