Ralfuranone E

Details

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Internal ID 0a8d4323-02c6-4020-b1a4-963269761064
Taxonomy Benzenoids > Benzene and substituted derivatives > Benzyl sulfoxides > Benzyl alkyl sulfoxides
IUPAC Name 4-[methylsulfinyl(phenyl)methyl]-3-phenyl-2H-furan-5-one
SMILES (Canonical) CS(=O)C(C1=CC=CC=C1)C2=C(COC2=O)C3=CC=CC=C3
SMILES (Isomeric) CS(=O)C(C1=CC=CC=C1)C2=C(COC2=O)C3=CC=CC=C3
InChI InChI=1S/C18H16O3S/c1-22(20)17(14-10-6-3-7-11-14)16-15(12-21-18(16)19)13-8-4-2-5-9-13/h2-11,17H,12H2,1H3
InChI Key JERDLSZAKIBURF-UHFFFAOYSA-N
Popularity 1 reference in papers

Physical and Chemical Properties

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Molecular Formula C18H16O3S
Molecular Weight 312.40 g/mol
Exact Mass 312.08201554 g/mol
Topological Polar Surface Area (TPSA) 62.60 Ų
XlogP 2.20

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of Ralfuranone E

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 96.45% 98.95%
CHEMBL221 P23219 Cyclooxygenase-1 96.19% 90.17%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 94.35% 95.56%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 91.96% 91.11%
CHEMBL1293249 Q13887 Kruppel-like factor 5 86.00% 86.33%
CHEMBL1907 P15144 Aminopeptidase N 85.42% 93.31%
CHEMBL3091268 Q92753 Nuclear receptor ROR-beta 81.29% 95.50%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 80.25% 99.23%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 80.21% 96.09%

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 139584275
LOTUS LTS0034621
wikiData Q77309988