(-)-streptophenazine O

Details

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Internal ID 2e99ebc1-3960-4ea0-9ff6-d003a99a1b37
Taxonomy Organoheterocyclic compounds > Diazanaphthalenes > Benzodiazines > Quinoxalines > Phenazines and derivatives
IUPAC Name (2R)-2-[(S)-hydroxy-(6-methoxycarbonylphenazin-1-yl)methyl]nonanoic acid
SMILES (Canonical) CCCCCCCC(C(C1=C2C(=CC=C1)N=C3C(=N2)C=CC=C3C(=O)OC)O)C(=O)O
SMILES (Isomeric) CCCCCCC[C@H]([C@@H](C1=C2C(=CC=C1)N=C3C(=N2)C=CC=C3C(=O)OC)O)C(=O)O
InChI InChI=1S/C24H28N2O5/c1-3-4-5-6-7-10-17(23(28)29)22(27)15-11-8-13-18-20(15)25-19-14-9-12-16(21(19)26-18)24(30)31-2/h8-9,11-14,17,22,27H,3-7,10H2,1-2H3,(H,28,29)/t17-,22-/m1/s1
InChI Key XYORNYZVPHCJQE-VGOFRKELSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C24H28N2O5
Molecular Weight 424.50 g/mol
Exact Mass 424.19982200 g/mol
Topological Polar Surface Area (TPSA) 110.00 Ų
XlogP 4.80

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of (-)-streptophenazine O

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 99.03% 98.95%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 98.08% 96.09%
CHEMBL3359 P21462 Formyl peptide receptor 1 95.63% 93.56%
CHEMBL3060 Q9Y345 Glycine transporter 2 95.31% 99.17%
CHEMBL3401 O75469 Pregnane X receptor 94.10% 94.73%
CHEMBL1293249 Q13887 Kruppel-like factor 5 93.86% 86.33%
CHEMBL221 P23219 Cyclooxygenase-1 93.30% 90.17%
CHEMBL4769 O95749 Geranylgeranyl pyrophosphate synthetase 91.73% 92.08%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 90.92% 96.00%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 90.13% 99.23%
CHEMBL3091268 Q92753 Nuclear receptor ROR-beta 89.19% 95.50%
CHEMBL3891 P07384 Calpain 1 88.62% 93.04%
CHEMBL1907 P15144 Aminopeptidase N 85.97% 93.31%
CHEMBL230 P35354 Cyclooxygenase-2 83.85% 89.63%
CHEMBL4227 P25090 Lipoxin A4 receptor 83.70% 100.00%
CHEMBL1293277 O15118 Niemann-Pick C1 protein 82.83% 81.11%
CHEMBL2535 P11166 Glucose transporter 81.60% 98.75%
CHEMBL1907591 P30926 Neuronal acetylcholine receptor; alpha4/beta4 80.46% 100.00%

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 139591601
LOTUS LTS0068267
wikiData Q105344592