Streptophenazine E

Details

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Internal ID d3dc4686-41b1-4e89-b505-cfd3a068de59
Taxonomy Organoheterocyclic compounds > Diazanaphthalenes > Benzodiazines > Quinoxalines > Phenazines and derivatives
IUPAC Name methyl 6-(3-hydroxy-1-methoxy-1-oxoheptan-2-yl)phenazine-1-carboxylate
SMILES (Canonical) CCCCC(C(C1=C2C(=CC=C1)N=C3C(=N2)C=CC=C3C(=O)OC)C(=O)OC)O
SMILES (Isomeric) CCCCC(C(C1=C2C(=CC=C1)N=C3C(=N2)C=CC=C3C(=O)OC)C(=O)OC)O
InChI InChI=1S/C22H24N2O5/c1-4-5-12-17(25)18(22(27)29-3)13-8-6-10-15-19(13)23-16-11-7-9-14(20(16)24-15)21(26)28-2/h6-11,17-18,25H,4-5,12H2,1-3H3
InChI Key IRNKVLMOMFBESJ-UHFFFAOYSA-N
Popularity 1 reference in papers

Physical and Chemical Properties

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Molecular Formula C22H24N2O5
Molecular Weight 396.40 g/mol
Exact Mass 396.16852187 g/mol
Topological Polar Surface Area (TPSA) 98.60 Ų
XlogP 3.50

Synonyms

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methyl 6-(3-hydroxy-1-methoxy-1-oxoheptan-2-yl)phenazine-1-carboxylate
RefChem:185961
Methyl 6-(3-hydroxy-1-methoxy-1-oxoheptan-2-yl)phenazine-1-carboxylic acid
1018439-67-2
CHEMBL522554
SCHEMBL29884170
CHEBI:226778

2D Structure

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2D Structure of Streptophenazine E

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 98.64% 98.95%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 97.64% 96.09%
CHEMBL230 P35354 Cyclooxygenase-2 96.70% 89.63%
CHEMBL221 P23219 Cyclooxygenase-1 95.75% 90.17%
CHEMBL3401 O75469 Pregnane X receptor 93.51% 94.73%
CHEMBL1293249 Q13887 Kruppel-like factor 5 93.07% 86.33%
CHEMBL3060 Q9Y345 Glycine transporter 2 92.15% 99.17%
CHEMBL3359 P21462 Formyl peptide receptor 1 90.74% 93.56%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 89.77% 96.00%
CHEMBL3091268 Q92753 Nuclear receptor ROR-beta 89.76% 95.50%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 89.60% 99.23%
CHEMBL3891 P07384 Calpain 1 88.82% 93.04%
CHEMBL2535 P11166 Glucose transporter 87.97% 98.75%
CHEMBL1951 P21397 Monoamine oxidase A 86.95% 91.49%
CHEMBL2782 P35610 Acyl coenzyme A:cholesterol acyltransferase 1 86.07% 91.65%
CHEMBL1907 P15144 Aminopeptidase N 85.65% 93.31%
CHEMBL1907591 P30926 Neuronal acetylcholine receptor; alpha4/beta4 83.81% 100.00%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 83.56% 91.11%
CHEMBL4227 P25090 Lipoxin A4 receptor 83.41% 100.00%
CHEMBL235 P37231 Peroxisome proliferator-activated receptor gamma 81.28% 95.39%
CHEMBL4769 O95749 Geranylgeranyl pyrophosphate synthetase 80.69% 92.08%
CHEMBL5845 P23415 Glycine receptor subunit alpha-1 80.23% 90.71%

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 24879216
LOTUS LTS0216661
wikiData Q104169046