Streptophenazine I

Details

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Internal ID 95dc7790-3d5c-4356-af29-7dcd98dec04d
Taxonomy Organoheterocyclic compounds > Diazanaphthalenes > Benzodiazines > Quinoxalines > Phenazines and derivatives
IUPAC Name methyl 6-[(1S,2R)-1,7-dihydroxy-2-methoxycarbonyl-7-methyloctyl]phenazine-1-carboxylate
SMILES (Canonical) CC(C)(CCCCC(C(C1=C2C(=CC=C1)N=C3C(=N2)C=CC=C3C(=O)OC)O)C(=O)OC)O
SMILES (Isomeric) CC(C)(CCCC[C@H]([C@@H](C1=C2C(=CC=C1)N=C3C(=N2)C=CC=C3C(=O)OC)O)C(=O)OC)O
InChI InChI=1S/C25H30N2O6/c1-25(2,31)14-6-5-9-17(24(30)33-4)22(28)15-10-7-12-18-20(15)26-19-13-8-11-16(21(19)27-18)23(29)32-3/h7-8,10-13,17,22,28,31H,5-6,9,14H2,1-4H3/t17-,22-/m1/s1
InChI Key KQTCMUKPBNRTMJ-VGOFRKELSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C25H30N2O6
Molecular Weight 454.50 g/mol
Exact Mass 454.21038668 g/mol
Topological Polar Surface Area (TPSA) 119.00 Ų
XlogP 3.00

Synonyms

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1802332-37-1
methyl 6-[(1S,2R)-1,7-dihydroxy-2-methoxycarbonyl-7-methyloctyl]phenazine-1-carboxylate

2D Structure

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2D Structure of Streptophenazine I

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 98.04% 96.09%
CHEMBL2581 P07339 Cathepsin D 97.43% 98.95%
CHEMBL3401 O75469 Pregnane X receptor 97.31% 94.73%
CHEMBL1293249 Q13887 Kruppel-like factor 5 93.13% 86.33%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 89.62% 85.14%
CHEMBL3359 P21462 Formyl peptide receptor 1 88.37% 93.56%
CHEMBL3060 Q9Y345 Glycine transporter 2 87.86% 99.17%
CHEMBL2535 P11166 Glucose transporter 87.82% 98.75%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 86.92% 96.00%
CHEMBL1907591 P30926 Neuronal acetylcholine receptor; alpha4/beta4 86.47% 100.00%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 86.24% 91.11%
CHEMBL1951 P21397 Monoamine oxidase A 84.37% 91.49%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 84.21% 99.23%
CHEMBL3891 P07384 Calpain 1 84.15% 93.04%
CHEMBL2782 P35610 Acyl coenzyme A:cholesterol acyltransferase 1 83.95% 91.65%
CHEMBL5028 O14672 ADAM10 83.26% 97.50%
CHEMBL5163 Q9NY46 Sodium channel protein type III alpha subunit 81.84% 96.90%
CHEMBL4227 P25090 Lipoxin A4 receptor 80.89% 100.00%
CHEMBL1907588 P02708 Acetylcholine receptor; alpha1/beta1/delta/gamma 80.64% 98.33%
CHEMBL3091268 Q92753 Nuclear receptor ROR-beta 80.49% 95.50%

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 139583783
LOTUS LTS0135674
wikiData Q75067428