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> Main
CHEBI:3613 - chlorflavonin
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ChEBI Ontology
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ChEBI Name
chlorflavonin
ChEBI ID
CHEBI:3613
Definition
A dihydroxyflavone that is flavone substituted by a chloro group at position 3', hydroxy groups at positions 5 and 2' and methoxy groups at positions 3, 7 band 8 respectively.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C18H15ClO7
Net Charge
0
Average Mass
378.76100
Monoisotopic Mass
378.05063
InChI
InChI=1S/C18H15ClO7/c1-
23-
11-
7-
10(20)
12-
14(22)
18(25-
3)
15(26-
17(12)
16(11)
24-
2)
8-
5-
4-
6-
9(19)
13(8)
21/h4-
7,20-
21H,1-
3H3
InChIKey
JLSQXYITDXJTKL-UHFFFAOYSA-N
SMILES
COc1cc(O)c2c(oc(-c3cccc(Cl)c3O)c(OC)c2=O)c1OC
Metabolite of Species
Details
Aspergillus candidus
(NCBI:txid41067)
See:
PubMed
Roles Classification
Biological Role
(s):
Aspergillus metabolite
Any fungal metabolite produced during a metabolic reaction in the mould,
Aspergillus
.
antifungal agent
An antimicrobial agent that destroys fungi by suppressing their ability to grow or reproduce.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
chlorflavonin (
CHEBI:3613
)
has role
Aspergillus
metabolite (
CHEBI:76956
)
chlorflavonin (
CHEBI:3613
)
has role
antifungal agent (
CHEBI:35718
)
chlorflavonin (
CHEBI:3613
)
is a
dihydroxyflavone (
CHEBI:38686
)
chlorflavonin (
CHEBI:3613
)
is a
monochlorobenzenes (
CHEBI:83403
)
chlorflavonin (
CHEBI:3613
)
is a
trimethoxyflavone (
CHEBI:27124
)
IUPAC Name
2-(3-chloro-2-hydroxyphenyl)-5-hydroxy-3,7,8-trimethoxy-4
H
-1-benzopyran-4-one
Synonym
Source
3'-chloro-2',5-dihydroxy-3,7,8-trimethoxyflavone
ChEBI
Manual Xrefs
Databases
C00001026
KNApSAcK
C10027
KEGG COMPOUND
LMPK12113075
LIPID MAPS
View more database links
Registry Numbers
Types
Sources
1300439
Reaxys Registry Number
Reaxys
23363-64-6
CAS Registry Number
KEGG COMPOUND
23363-64-6
CAS Registry Number
ChemIDplus
Citations
Types
Sources
4775434
PubMed citation
Europe PMC
5391291
PubMed citation
Europe PMC
5463573
PubMed citation
Europe PMC
Last Modified
04 June 2015