dimethyl 2-(dimethylamino)-3-methoxy-10H-phenoxazine-1,9-dicarboxylate

Details

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Internal ID 24973dce-d6eb-4e75-9603-2203a4f1c3d9
Taxonomy Organoheterocyclic compounds > Benzoxazines > Phenoxazines
IUPAC Name dimethyl 2-(dimethylamino)-3-methoxy-10H-phenoxazine-1,9-dicarboxylate
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C19H20N2O6/c1-21(2)17-13(24-3)9-12-16(14(17)19(23)26-5)20-15-10(18(22)25-4)7-6-8-11(15)27-12/h6-9,20H,1-5H3
InChI Key PAYFVFBGKVHIOZ-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C19H20N2O6
Molecular Weight 372.40 g/mol
Exact Mass 372.13213636 g/mol
Topological Polar Surface Area (TPSA) 86.30 Ų
XlogP 2.90

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of dimethyl 2-(dimethylamino)-3-methoxy-10H-phenoxazine-1,9-dicarboxylate

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
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 98.01% 96.09%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 95.50% 91.11%
CHEMBL2535 P11166 Glucose transporter 94.55% 98.75%
CHEMBL2581 P07339 Cathepsin D 92.77% 98.95%
CHEMBL1255126 O15151 Protein Mdm4 91.25% 90.20%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 90.59% 94.00%
CHEMBL3401 O75469 Pregnane X receptor 89.69% 94.73%
CHEMBL1293249 Q13887 Kruppel-like factor 5 89.51% 86.33%
CHEMBL3091268 Q92753 Nuclear receptor ROR-beta 85.70% 95.50%
CHEMBL3060 Q9Y345 Glycine transporter 2 84.02% 99.17%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 83.58% 94.45%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 82.79% 95.56%
CHEMBL340 P08684 Cytochrome P450 3A4 82.06% 91.19%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 82.00% 96.00%
CHEMBL3864 Q06124 Protein-tyrosine phosphatase 2C 81.67% 94.42%
CHEMBL2716 Q8WUI4 Histone deacetylase 7 81.17% 89.44%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 80.58% 99.23%

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 14160623
LOTUS LTS0069269
wikiData Q105204950