Ralfuranone M

Details

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Internal ID 9cef7974-3310-4898-a062-59a3b89450b9
Taxonomy Benzenoids > Benzene and substituted derivatives > Benzoyl derivatives
IUPAC Name 4-benzoyl-3-phenyl-2H-furan-5-one
SMILES (Canonical) C1C(=C(C(=O)O1)C(=O)C2=CC=CC=C2)C3=CC=CC=C3
SMILES (Isomeric) C1C(=C(C(=O)O1)C(=O)C2=CC=CC=C2)C3=CC=CC=C3
InChI InChI=1S/C17H12O3/c18-16(13-9-5-2-6-10-13)15-14(11-20-17(15)19)12-7-3-1-4-8-12/h1-10H,11H2
InChI Key KFFCOGDRJQBJTC-UHFFFAOYSA-N
Popularity 1 reference in papers

Physical and Chemical Properties

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Molecular Formula C17H12O3
Molecular Weight 264.27 g/mol
Exact Mass 264.078644241 g/mol
Topological Polar Surface Area (TPSA) 43.40 Ų
XlogP 2.90

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of Ralfuranone M

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 96.62% 90.17%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 92.07% 95.56%
CHEMBL1293249 Q13887 Kruppel-like factor 5 90.54% 86.33%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 89.26% 91.11%
CHEMBL1293277 O15118 Niemann-Pick C1 protein 88.31% 81.11%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 87.72% 99.23%
CHEMBL3091268 Q92753 Nuclear receptor ROR-beta 86.43% 95.50%
CHEMBL2581 P07339 Cathepsin D 85.71% 98.95%
CHEMBL5284 Q96RR4 CaM-kinase kinase beta 83.83% 89.23%

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.
There are no matching plants.

Cross-Links

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PubChem 86036962
LOTUS LTS0127285
wikiData Q105140351