Phenoxazinone

Details

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Internal ID a7714641-4ae1-41f6-b30a-12093cb7ac83
Taxonomy Organoheterocyclic compounds > Benzoxazines > Phenoxazines
IUPAC Name phenoxazin-3-one
SMILES (Canonical) C1=CC=C2C(=C1)N=C3C=CC(=O)C=C3O2
SMILES (Isomeric) C1=CC=C2C(=C1)N=C3C=CC(=O)C=C3O2
InChI InChI=1S/C12H7NO2/c14-8-5-6-10-12(7-8)15-11-4-2-1-3-9(11)13-10/h1-7H
InChI Key UOMHBFAJZRZNQD-UHFFFAOYSA-N
Popularity 126 references in papers

Physical and Chemical Properties

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Molecular Formula C12H7NO2
Molecular Weight 197.19 g/mol
Exact Mass 197.047678466 g/mol
Topological Polar Surface Area (TPSA) 38.70 Ų
XlogP 1.50

Synonyms

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Phenoxazinone
1916-63-8
DTXSID20172692
RefChem:172910
DTXCID9095183
Phenoxazin-3-one
SCHEMBL8067
CHEMBL147062
SCHEMBL2897325
UOMHBFAJZRZNQD-UHFFFAOYSA-N
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

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2D Structure of Phenoxazinone

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
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 93.33% 91.11%
CHEMBL1293249 Q13887 Kruppel-like factor 5 92.11% 86.33%
CHEMBL2581 P07339 Cathepsin D 91.41% 98.95%
CHEMBL1293294 P51151 Ras-related protein Rab-9A 90.01% 87.67%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 89.42% 95.56%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 88.04% 94.00%
CHEMBL3401 O75469 Pregnane X receptor 86.17% 94.73%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 85.50% 99.23%
CHEMBL4040 P28482 MAP kinase ERK2 85.34% 83.82%
CHEMBL1293277 O15118 Niemann-Pick C1 protein 83.95% 81.11%
CHEMBL5409 Q8TDU6 G-protein coupled bile acid receptor 1 83.22% 93.65%
CHEMBL1806 P11388 DNA topoisomerase II alpha 82.93% 89.00%
CHEMBL2035 P08912 Muscarinic acetylcholine receptor M5 81.77% 94.62%

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 114834
LOTUS LTS0237449
wikiData Q83042778