4-Hydroxypyridine

Details

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Internal ID 062ddad5-02e6-49f6-85c9-a6294ce3b00c
Taxonomy Organoheterocyclic compounds > Pyridines and derivatives > Hydropyridines > Dihydropyridines
IUPAC Name 1H-pyridin-4-one
SMILES (Canonical) C1=CNC=CC1=O
SMILES (Isomeric) C1=CNC=CC1=O
InChI InChI=1S/C5H5NO/c7-5-1-3-6-4-2-5/h1-4H,(H,6,7)
InChI Key GCNTZFIIOFTKIY-UHFFFAOYSA-N
Popularity 401 references in papers

Physical and Chemical Properties

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Molecular Formula C5H5NO
Molecular Weight 95.10 g/mol
Exact Mass 95.037113783 g/mol
Topological Polar Surface Area (TPSA) 29.10 Ų
XlogP -1.30

Synonyms

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626-64-2
pyridin-4-ol
4-Pyridinol
4-Pyridone
pyridin-4(1H)-one
108-96-3
4(1H)-Pyridinone
1H-pyridin-4-one
4-Oxopyridine
4-Pyridinone
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

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2D Structure of 4-Hydroxypyridine

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 90.61% 98.95%
CHEMBL4040 P28482 MAP kinase ERK2 90.36% 83.82%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 88.34% 95.56%
CHEMBL255 P29275 Adenosine A2b receptor 86.63% 98.59%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 80.30% 96.09%

Plants that contains it

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Below are displayed all the plants proven (via scientific papers) to contain this compound!
To see more specific details click the taxa you are interested in.
Angelica acutiloba
Angelica gigas
Angelica sinensis
Arabidopsis thaliana

Cross-Links

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PubChem 12290
NPASS NPC305607
ChEMBL CHEMBL237459