3-Phenylfuran

Details

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Internal ID 306ed1f9-af19-4c35-b162-aee12c9fa99e
Taxonomy Benzenoids > Benzene and substituted derivatives
IUPAC Name 3-phenylfuran
SMILES (Canonical) C1=CC=C(C=C1)C2=COC=C2
SMILES (Isomeric) C1=CC=C(C=C1)C2=COC=C2
InChI InChI=1S/C10H8O/c1-2-4-9(5-3-1)10-6-7-11-8-10/h1-8H
InChI Key BNANPEQZOWHZKY-UHFFFAOYSA-N
Popularity 32 references in papers

Physical and Chemical Properties

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Molecular Formula C10H8O
Molecular Weight 144.17 g/mol
Exact Mass 144.057514874 g/mol
Topological Polar Surface Area (TPSA) 13.10 Ų
XlogP 2.60

Synonyms

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Furan, 3-phenyl-
13679-41-9
3-phenyl-furan
3-phenyluran
SCHEMBL1126802
DTXSID30333833
CHEBI:167083
AKOS015904821

2D Structure

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2D Structure of 3-Phenylfuran

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
CHEMBL221 P23219 Cyclooxygenase-1 88.81% 90.17%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 85.38% 95.56%
CHEMBL1293249 Q13887 Kruppel-like factor 5 82.79% 86.33%
CHEMBL1944 P08473 Neprilysin 82.70% 92.63%
CHEMBL2581 P07339 Cathepsin D 81.98% 98.95%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 80.06% 91.11%

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.
Coffea arabica
Scutellaria baicalensis

Cross-Links

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PubChem 518802
LOTUS LTS0113098
wikiData Q82099386