Ralfuranone J

Details

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Internal ID 91b72c01-8338-4777-ac03-a2c860d6584a
Taxonomy Organoheterocyclic compounds > Dihydrofurans > Furanones > Butenolides
IUPAC Name 2-hydroxy-4-[hydroxy(phenyl)methyl]-3-phenyl-2H-furan-5-one
SMILES (Canonical) C1=CC=C(C=C1)C2=C(C(=O)OC2O)C(C3=CC=CC=C3)O
SMILES (Isomeric) C1=CC=C(C=C1)C2=C(C(=O)OC2O)C(C3=CC=CC=C3)O
InChI InChI=1S/C17H14O4/c18-15(12-9-5-2-6-10-12)14-13(16(19)21-17(14)20)11-7-3-1-4-8-11/h1-10,15-16,18-19H
InChI Key YWBRXRXMXOEXLY-UHFFFAOYSA-N
Popularity 1 reference in papers

Physical and Chemical Properties

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Molecular Formula C17H14O4
Molecular Weight 282.29 g/mol
Exact Mass 282.08920892 g/mol
Topological Polar Surface Area (TPSA) 66.80 Ų
XlogP 2.20

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of Ralfuranone J

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 93.53% 98.95%
CHEMBL221 P23219 Cyclooxygenase-1 90.84% 90.17%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 90.01% 95.56%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 89.33% 91.11%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 86.34% 99.23%
CHEMBL1293249 Q13887 Kruppel-like factor 5 84.96% 86.33%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 82.50% 85.14%
CHEMBL3091268 Q92753 Nuclear receptor ROR-beta 81.31% 95.50%

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 102358955
LOTUS LTS0205309
wikiData Q77423748