N-Acetylquestiomycin A

Details

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Internal ID a339c828-9ed1-47ec-b8a2-4538e14869c7
Taxonomy Organoheterocyclic compounds > Benzoxazines > Phenoxazines
IUPAC Name N-(3-oxophenoxazin-2-yl)acetamide
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C14H10N2O3/c1-8(17)15-10-6-11-14(7-12(10)18)19-13-5-3-2-4-9(13)16-11/h2-7H,1H3,(H,15,17)
InChI Key DWOBTNSFRDZSMA-UHFFFAOYSA-N
Popularity 21 references in papers

Physical and Chemical Properties

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Molecular Formula C14H10N2O3
Molecular Weight 254.24 g/mol
Exact Mass 254.06914219 g/mol
Topological Polar Surface Area (TPSA) 67.80 Ų
XlogP 0.90

Synonyms

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1916-55-8
DTXSID00172690
Acetamide, N-(3-oxo-3H-phenoxazin-2-yl)-
RefChem:927043
DTXCID9095181
N-(3-oxophenoxazin-2-yl)acetamide
NSC94944
NSC-94944
MLS003577049
2-Acetylaminophenoxazin-3-one
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

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2D Structure of N-Acetylquestiomycin 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
CHEMBL1293294 P51151 Ras-related protein Rab-9A 98.81% 87.67%
CHEMBL1293277 O15118 Niemann-Pick C1 protein 97.84% 81.11%
CHEMBL3401 O75469 Pregnane X receptor 97.49% 94.73%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 97.25% 85.14%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 96.12% 91.11%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 92.69% 99.23%
CHEMBL1293249 Q13887 Kruppel-like factor 5 92.08% 86.33%
CHEMBL2581 P07339 Cathepsin D 91.06% 98.95%
CHEMBL1806 P11388 DNA topoisomerase II alpha 90.31% 89.00%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 87.91% 95.56%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 85.53% 94.00%
CHEMBL3091268 Q92753 Nuclear receptor ROR-beta 83.11% 95.50%
CHEMBL5409 Q8TDU6 G-protein coupled bile acid receptor 1 81.58% 93.65%

Plants that contains it

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Below are displayed all the plants proven (via scientific papers) to contain this compound!
To see more specific details click the taxa you are interested in.
Dimocarpus longan

Cross-Links

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PubChem 193337
NPASS NPC297584
ChEMBL CHEMBL151988