Deoxynyboquinone

Details

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Internal ID 492b78aa-a5c0-4d20-aacb-2b85b926b539
Taxonomy Organoheterocyclic compounds > Quinolines and derivatives > Quinoline quinones
IUPAC Name 1,4,6-trimethyl-9H-pyrido[3,2-g]quinoline-2,5,8,10-tetrone
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C15H12N2O4/c1-6-4-8(18)16-12-10(6)14(20)11-7(2)5-9(19)17(3)13(11)15(12)21/h4-5H,1-3H3,(H,16,18)
InChI Key KJYPAIRTXRKKHG-UHFFFAOYSA-N
Popularity 13 references in papers

Physical and Chemical Properties

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Molecular Formula C15H12N2O4
Molecular Weight 284.27 g/mol
Exact Mass 284.07970687 g/mol
Topological Polar Surface Area (TPSA) 83.60 Ų
XlogP -0.70

Synonyms

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96748-86-6
NSC165572
1,4,6-Trimethylpyrido[3,2-g]quinoline-2,5,8,10(1H,9H)-tetraone
1,4,6-trimethylpyrido[3,2-g]quinoline-2,5,8,10(1H,9H)-tetrone
Deoxynyboqionone
CHEMBL1972926
SCHEMBL14873825
1,4,6-trimethyl-9H-pyrido[3,2-g]quinoline-2,5,8,10-tetrone
AKOS027324995
NSC-165572
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

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2D Structure of Deoxynyboquinone

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
CHEMBL2581 P07339 Cathepsin D 96.15% 98.95%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 95.87% 95.56%
CHEMBL5697 Q9GZT9 Egl nine homolog 1 92.37% 93.40%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 86.82% 85.14%
CHEMBL255 P29275 Adenosine A2b receptor 85.94% 98.59%
CHEMBL1806 P11388 DNA topoisomerase II alpha 83.18% 89.00%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 82.22% 94.00%
CHEMBL3401 O75469 Pregnane X receptor 81.55% 94.73%
CHEMBL5409 Q8TDU6 G-protein coupled bile acid receptor 1 81.29% 93.65%
CHEMBL1293249 Q13887 Kruppel-like factor 5 81.09% 86.33%
CHEMBL2378 P30307 Dual specificity phosphatase Cdc25C 80.91% 96.67%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 80.31% 96.09%
CHEMBL1871 P10275 Androgen Receptor 80.02% 96.43%

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 295934
LOTUS LTS0079637
wikiData Q75058396