5-hydroxy-4-phenylfuran-2(5H)-one

Details

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Internal ID 4f3d4754-9fab-4b02-93be-d32685957a81
Taxonomy Organoheterocyclic compounds > Dihydrofurans > Furanones > Butenolides
IUPAC Name 2-hydroxy-3-phenyl-2H-furan-5-one
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C10H8O3/c11-9-6-8(10(12)13-9)7-4-2-1-3-5-7/h1-6,10,12H
InChI Key XXWIUGNNANJILR-UHFFFAOYSA-N
Popularity 2 references in papers

Physical and Chemical Properties

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Molecular Formula C10H8O3
Molecular Weight 176.17 g/mol
Exact Mass 176.047344113 g/mol
Topological Polar Surface Area (TPSA) 46.50 Ų
XlogP 0.80

Synonyms

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78920-11-3
SCHEMBL5261044
TQP1060
XXWIUGNNANJILR-UHFFFAOYSA-N

2D Structure

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2D Structure of 5-hydroxy-4-phenylfuran-2(5H)-one

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 93.08% 95.56%
CHEMBL2581 P07339 Cathepsin D 90.89% 98.95%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 89.24% 91.11%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 86.53% 99.23%
CHEMBL1951 P21397 Monoamine oxidase A 84.38% 91.49%
CHEMBL1293249 Q13887 Kruppel-like factor 5 84.34% 86.33%
CHEMBL221 P23219 Cyclooxygenase-1 80.89% 90.17%
CHEMBL2035 P08912 Muscarinic acetylcholine receptor M5 80.09% 94.62%

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.
Phleum pratense

Cross-Links

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PubChem 12864804
LOTUS LTS0084857
wikiData Q105344254