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> Main
CHEBI:77321 - 1,8-dihydroxy-4-nitroxanthen-9-one
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ChEBI Ontology
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ChEBI Name
1,8-dihydroxy-4-nitroxanthen-9-one
ChEBI ID
CHEBI:77321
Definition
A member of the class of xanthones that is xanthen-9-one substituted at position 4 by a nitro group and at positions 1 and 8 by hydroxy groups.
Stars
This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs
CHEBI:43970
Supplier Information
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Molfile
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Formula
C13H7NO6
Net Charge
0
Average Mass
273.19780
Monoisotopic Mass
273.02734
InChI
InChI=1S/C13H7NO6/c15-7-2-1-3-9-10(7)12(17)11-8(16)5-4-6(14(18)19)13(11)20-9/h1-5,15-16H
InChIKey
ZOHCDJRFYXKEQW-UHFFFAOYSA-N
SMILES
Oc1cccc2oc3c(ccc(O)c3c(=O)c12)[N+]([O-])=O
Roles Classification
Biological Role
(s):
protein kinase inhibitor
An EC 2.7.* (
P
-containing group transferase) inhibitor that interferes with the action of protein kinases.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
1,8-dihydroxy-4-nitroxanthen-9-one (
CHEBI:77321
)
has role
protein kinase inhibitor (
CHEBI:37699
)
1,8-dihydroxy-4-nitroxanthen-9-one (
CHEBI:77321
)
is a
C
-nitro compound (
CHEBI:35716
)
1,8-dihydroxy-4-nitroxanthen-9-one (
CHEBI:77321
)
is a
polyphenol (
CHEBI:26195
)
1,8-dihydroxy-4-nitroxanthen-9-one (
CHEBI:77321
)
is a
xanthones (
CHEBI:51149
)
IUPAC Name
1,8-dihydroxy-4-nitro-9
H
-xanthen-9-one
Synonym
Source
MNX
ChEBI
Manual Xrefs
Databases
DB02170
DrugBank
MNX
PDBeChem
View more database links
Registry Number
Type
Source
24145840
Reaxys Registry Number
Reaxys
Citation
Type
Source
15461466
PubMed citation
Europe PMC
Last Modified
13 October 2014