Petchine

Details

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Internal ID 98ecc8dd-7042-4e0f-b6b1-d67d2af7035c
Taxonomy Organoheterocyclic compounds > Pyrans > Pyranones and derivatives
IUPAC Name 2-(5-hydroxy-2-pyridinyl)pyran-4-one
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C10H7NO3/c12-7-3-4-14-10(5-7)9-2-1-8(13)6-11-9/h1-6,13H
InChI Key PETCHQVIMLVZNY-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C10H7NO3
Molecular Weight 189.17 g/mol
Exact Mass 189.042593085 g/mol
Topological Polar Surface Area (TPSA) 59.40 Ų
XlogP 0.40

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of Petchine

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 91.31% 91.11%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 90.09% 94.00%
CHEMBL1293249 Q13887 Kruppel-like factor 5 88.69% 86.33%
CHEMBL3401 O75469 Pregnane X receptor 88.13% 94.73%
CHEMBL2107 P61073 C-X-C chemokine receptor type 4 87.02% 93.10%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 86.77% 99.15%
CHEMBL1806 P11388 DNA topoisomerase II alpha 86.46% 89.00%
CHEMBL2535 P11166 Glucose transporter 83.12% 98.75%
CHEMBL5845 P23415 Glycine receptor subunit alpha-1 82.81% 90.71%
CHEMBL3060 Q9Y345 Glycine transporter 2 82.69% 99.17%
CHEMBL5409 Q8TDU6 G-protein coupled bile acid receptor 1 81.53% 93.65%
CHEMBL5697 Q9GZT9 Egl nine homolog 1 80.69% 93.40%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 80.41% 95.56%

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 139587558
LOTUS LTS0060530
wikiData Q77569102