Salinaphthoquinone A

Details

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Internal ID 5d496fc8-a1b0-4d6d-8ee7-6477a807e434
Taxonomy Benzenoids > Naphthalenes > Naphthoquinones
IUPAC Name 2-amino-5,6-dihydroxy-7-methylnaphthalene-1,4-dione
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C11H9NO4/c1-4-2-5-8(11(16)9(4)14)7(13)3-6(12)10(5)15/h2-3,14,16H,12H2,1H3
InChI Key QRKANCOSNBOSFF-UHFFFAOYSA-N
Popularity 2 references in papers

Physical and Chemical Properties

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Molecular Formula C11H9NO4
Molecular Weight 219.19 g/mol
Exact Mass 219.05315777 g/mol
Topological Polar Surface Area (TPSA) 101.00 Ų
XlogP 1.20

Synonyms

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CHEMBL4466232

2D Structure

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2D Structure of Salinaphthoquinone A

3D Structure

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ADMET Properties (via admetSAR 2)

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Target Value Probability (raw) Probability (%)
No predicted properties yet!

Targets

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Proven Targets:

CHEMBL ID UniProt ID Name Min activity Assay type Source
No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID UniProt ID Name Probability Model accuracy
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 94.94% 95.56%
CHEMBL2581 P07339 Cathepsin D 93.27% 98.95%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 92.12% 91.11%
CHEMBL1806 P11388 DNA topoisomerase II alpha 90.01% 89.00%
CHEMBL1951 P21397 Monoamine oxidase A 89.15% 91.49%
CHEMBL5845 P23415 Glycine receptor subunit alpha-1 85.86% 90.71%
CHEMBL2378 P30307 Dual specificity phosphatase Cdc25C 83.29% 96.67%
CHEMBL1293249 Q13887 Kruppel-like factor 5 82.01% 86.33%
CHEMBL3864 Q06124 Protein-tyrosine phosphatase 2C 81.08% 94.42%
CHEMBL3401 O75469 Pregnane X receptor 80.82% 94.73%
CHEMBL4581 P52732 Kinesin-like protein 1 80.81% 93.18%
CHEMBL3492 P49721 Proteasome Macropain subunit 80.63% 90.24%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 80.37% 99.15%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 80.27% 94.00%
CHEMBL5409 Q8TDU6 G-protein coupled bile acid receptor 1 80.27% 93.65%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 80.23% 99.23%
CHEMBL4530 P00488 Coagulation factor XIII 80.22% 96.00%

Plants that contains it

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Below are displayed all the plants proven (via scientific papers) to contain this compound!
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There are no matching plants.

Cross-Links

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PubChem 145721042
LOTUS LTS0232255
wikiData Q104196125