Phyto4Health

Naphthoquinone

Representations & DB's id
ChEBI: CHEBI:27418
ChEMBL: CHEMBL55934
PubChem: 8530
IUPAC: naphthalene-1,4-dione
Standard InChI: InChI=1S/C10H6O2/c11-9-5-6-10(12)8-4-2-1-3-7(8)9/h1-6H
Standard InChI Key: FRASJONUBLZVQX-UHFFFAOYSA-N
SMILES: O=C1C=CC(=O)c2c1cccc2

Molecular propeties
AlogP: 1.62
Hydrogen bonds acceptors: 2
Hydrogen bonds donors: 0
Rotatable bonds: 0
Number of rings: 2
Molecular Weight: 158.04
Topological polar surface area: 34.1
Number of aromatic rings: 1
Fsp3: 0
Number of carbons: 10

Plant sources

Part of plant Plant name Ref.
PlantJuglans regia
PlantJuglans regia

In vitro data

Activity Type Activity Value Target Name UniProt ID Ref.
IC50990 nMIndoleamine 2,3-dioxygenaseP14902
IC502760 nMDual specificity phosphatase Cdc25BP30305
Ki1500 nMMonoamine oxidase BP27338
Ki7700 nMMonoamine oxidase AP21397
Others50 %Monoamine oxidase BP27338
Potency15848.9 nMAryl hydrocarbon receptorP35869
Potency54482.7 nMNuclear factor erythroid 2-related factor 2Q16236
IC5010980 nMSerine/threonine-protein kinase AKTP31749
Others56 %DNA topoisomerase II alphaP11388
Others26.3 %Dual specificity phosphatase Cdc25AP30304
Others24.7 %Dual specificity phosphatase Cdc25AP30304
Others26.5 %Dual specificity phosphatase Cdc25AP30304
Others18.6 %Dual specificity phosphatase Cdc25AP30304
Others20.6 %Dual specificity phosphatase Cdc25AP30304
Others20.3 %Dual specificity phosphatase Cdc25AP30304
Others99.2 %Dual specificity phosphatase Cdc25CP30307
Others71.2 %Dual specificity phosphatase Cdc25BP30305
Others79.7 %Dual specificity phosphatase Cdc25AP30304