2,3,9-Trihydroxyphenazine-1-carboxylic acid

Details

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Internal ID 972cedd3-da0e-4d6a-bb46-67068be19292
Taxonomy Organoheterocyclic compounds > Diazanaphthalenes > Benzodiazines > Quinoxalines > Phenazines and derivatives
IUPAC Name 2,3,9-trihydroxyphenazine-1-carboxylic acid
SMILES (Canonical) C1=CC2=NC3=CC(=C(C(=C3N=C2C(=C1)O)C(=O)O)O)O
SMILES (Isomeric) C1=CC2=NC3=CC(=C(C(=C3N=C2C(=C1)O)C(=O)O)O)O
InChI InChI=1S/C13H8N2O5/c16-7-3-1-2-5-10(7)15-11-6(14-5)4-8(17)12(18)9(11)13(19)20/h1-4,16-18H,(H,19,20)
InChI Key YRALVZSNGOJWCS-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C13H8N2O5
Molecular Weight 272.21 g/mol
Exact Mass 272.04332136 g/mol
Topological Polar Surface Area (TPSA) 124.00 Ų
XlogP 1.60

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 2,3,9-Trihydroxyphenazine-1-carboxylic acid

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 95.61% 91.11%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 93.29% 99.15%
CHEMBL1293249 Q13887 Kruppel-like factor 5 90.71% 86.33%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 89.98% 99.23%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 89.98% 95.56%
CHEMBL1293255 P15428 15-hydroxyprostaglandin dehydrogenase [NAD+] 86.82% 83.57%
CHEMBL1937 Q92769 Histone deacetylase 2 86.15% 94.75%
CHEMBL2581 P07339 Cathepsin D 86.12% 98.95%
CHEMBL1255126 O15151 Protein Mdm4 84.32% 90.20%
CHEMBL3401 O75469 Pregnane X receptor 83.88% 94.73%
CHEMBL1811 P34995 Prostanoid EP1 receptor 83.65% 95.71%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 82.19% 96.00%
CHEMBL3091268 Q92753 Nuclear receptor ROR-beta 81.92% 95.50%
CHEMBL2035 P08912 Muscarinic acetylcholine receptor M5 81.15% 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 136756816
LOTUS LTS0121198
wikiData Q105352686