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ChEBI
> Main
CHEBI:78029 - toralactone
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ChEBI Ontology
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ChEBI Name
toralactone
ChEBI ID
CHEBI:78029
Definition
An organic heterotricyclic compound that is 9,10-dihydroxy-1
H
-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
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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.
View more via ChEBI Ontology
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-1
H
-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
Types
Sources
23845556
PubMed citation
Europe PMC
4737581
PubMed citation
Europe PMC
Last Modified
09 March 2020