Isoxazol-4-ol

Details

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Internal ID 9c79fcb5-adc2-4637-a7af-faa327bba9b5
Taxonomy Organoheterocyclic compounds > Azoles > Isoxazoles
IUPAC Name 1,2-oxazol-4-ol
SMILES (Canonical) C1=C(C=NO1)O
SMILES (Isomeric) C1=C(C=NO1)O
InChI InChI=1S/C3H3NO2/c5-3-1-4-6-2-3/h1-2,5H
InChI Key ABFBKQBATYREHU-UHFFFAOYSA-N
Popularity 9 references in papers

Physical and Chemical Properties

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Molecular Formula C3H3NO2
Molecular Weight 85.06 g/mol
Exact Mass 85.016378338 g/mol
Topological Polar Surface Area (TPSA) 46.30 Ų
XlogP 0.00

Synonyms

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4-hydroxyisoxazole
80348-66-9
1,2-oxazol-4-ol
MFCD18909313
4-Isoxazolol
NoName_1644
DTXSID30902402
ABFBKQBATYREHU-UHFFFAOYSA-N
AKOS026730116
AT21052
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

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2D Structure of Isoxazol-4-ol

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 83.63% 91.11%
CHEMBL2107 P61073 C-X-C chemokine receptor type 4 82.17% 93.10%

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.
Triumfetta rhomboidea

Cross-Links

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PubChem 13117012
LOTUS LTS0273591
wikiData Q104249719