Euparone

Details

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Internal ID 3e48f646-fc5d-4f72-a34f-02fae23f7143
Taxonomy Organoheterocyclic compounds > Benzofurans
IUPAC Name 1-(5-acetyl-6-hydroxy-1-benzofuran-2-yl)ethanone
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C12H10O4/c1-6(13)9-3-8-4-11(7(2)14)16-12(8)5-10(9)15/h3-5,15H,1-2H3
InChI Key FOXRXAILTBHLQA-UHFFFAOYSA-N
Popularity 9 references in papers

Physical and Chemical Properties

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Molecular Formula C12H10O4
Molecular Weight 218.20 g/mol
Exact Mass 218.05790880 g/mol
Topological Polar Surface Area (TPSA) 67.50 Ų
XlogP 2.20

Synonyms

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53947-86-7
2,5-Diacetyl-6-hydroxybenzofuran
1-(5-acetyl-6-hydroxy-1-benzofuran-2-yl)ethanone
RefChem:139444
Ethanone, 1,1'-(6-hydroxy-2,5-benzofurandiyl)bis-
orb1682591
DTXSID10968748
FOXRXAILTBHLQA-UHFFFAOYSA-N
DCA94786
AKOS022652726
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

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2D Structure of Euparone

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 94.41% 91.11%
CHEMBL3401 O75469 Pregnane X receptor 88.86% 94.73%
CHEMBL3864 Q06124 Protein-tyrosine phosphatase 2C 88.16% 94.42%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 87.68% 94.00%
CHEMBL3060 Q9Y345 Glycine transporter 2 85.55% 99.17%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 85.55% 96.09%
CHEMBL2581 P07339 Cathepsin D 84.53% 98.95%
CHEMBL5409 Q8TDU6 G-protein coupled bile acid receptor 1 84.17% 93.65%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 84.04% 85.14%
CHEMBL4793 Q86TI2 Dipeptidyl peptidase IX 80.12% 96.95%

Cross-Links

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PubChem 104654
NPASS NPC135781
LOTUS LTS0236643
wikiData Q105277222