Ralfuranone C

Details

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Internal ID 2dfa7d42-5bbf-41a9-9489-456a9569f20a
Taxonomy Organoheterocyclic compounds > Dihydrofurans > Furanones > Butenolides
IUPAC Name 3-phenyl-4-[phenyl(sulfanyl)methyl]-2H-furan-5-one
SMILES (Canonical) C1C(=C(C(=O)O1)C(C2=CC=CC=C2)S)C3=CC=CC=C3
SMILES (Isomeric) C1C(=C(C(=O)O1)C(C2=CC=CC=C2)S)C3=CC=CC=C3
InChI InChI=1S/C17H14O2S/c18-17-15(16(20)13-9-5-2-6-10-13)14(11-19-17)12-7-3-1-4-8-12/h1-10,16,20H,11H2
InChI Key BSKWCCNKYBCTTI-UHFFFAOYSA-N
Popularity 1 reference in papers

Physical and Chemical Properties

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Molecular Formula C17H14O2S
Molecular Weight 282.40 g/mol
Exact Mass 282.07145086 g/mol
Topological Polar Surface Area (TPSA) 27.30 Ų
XlogP 3.20

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of Ralfuranone C

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 96.97% 90.17%
CHEMBL2581 P07339 Cathepsin D 94.69% 98.95%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 93.55% 95.56%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 90.45% 91.11%
CHEMBL1293249 Q13887 Kruppel-like factor 5 85.29% 86.33%
CHEMBL3091268 Q92753 Nuclear receptor ROR-beta 81.30% 95.50%

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 139585617
LOTUS LTS0238978
wikiData Q77483692