Papilistatin

Details

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Internal ID 16e70639-bd8c-4d4a-b540-d8fc8d982d96
Taxonomy Benzenoids > Phenanthrenes and derivatives
IUPAC Name 8-methoxynaphtho[2,1-g][1,3]benzodioxole-5,6-dicarboxylic acid
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C18H12O7/c1-23-12-4-2-3-8-9(12)5-10(17(19)20)14-11(18(21)22)6-13-16(15(8)14)25-7-24-13/h2-6H,7H2,1H3,(H,19,20)(H,21,22)
InChI Key KTEBZKXXNMHJFH-UHFFFAOYSA-N
Popularity 3 references in papers

Physical and Chemical Properties

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Molecular Formula C18H12O7
Molecular Weight 340.30 g/mol
Exact Mass 340.05830272 g/mol
Topological Polar Surface Area (TPSA) 102.00 Ų
XlogP 3.30

Synonyms

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papilistatin
CHEMBL1087295
Q27451756

2D Structure

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2D Structure of Papilistatin

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
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 95.86% 95.56%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 95.57% 91.11%
CHEMBL4303 P08238 Heat shock protein HSP 90-beta 95.56% 96.77%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 95.39% 96.09%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 93.27% 94.45%
CHEMBL1293249 Q13887 Kruppel-like factor 5 93.21% 86.33%
CHEMBL2535 P11166 Glucose transporter 91.36% 98.75%
CHEMBL2373 P21730 C5a anaphylatoxin chemotactic receptor 90.96% 92.62%
CHEMBL2581 P07339 Cathepsin D 90.51% 98.95%
CHEMBL3091268 Q92753 Nuclear receptor ROR-beta 89.14% 95.50%
CHEMBL1806 P11388 DNA topoisomerase II alpha 86.79% 89.00%
CHEMBL4481 P35228 Nitric oxide synthase, inducible 86.26% 94.80%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 86.23% 96.00%
CHEMBL1255126 O15151 Protein Mdm4 84.72% 90.20%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 84.35% 94.00%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 82.77% 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 46184319
LOTUS LTS0123246
wikiData Q27451756