(2Z)-2-benzylidene-4-hydroxyfuro[2,3-g][1]benzofuran-3-one

Details

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Internal ID 09cce321-bcd7-4ff0-8d65-892e252e4e89
Taxonomy Phenylpropanoids and polyketides > Aurone flavonoids
IUPAC Name (2Z)-2-benzylidene-4-hydroxyfuro[2,3-g][1]benzofuran-3-one
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C17H10O4/c18-12-9-13-11(6-7-20-13)17-15(12)16(19)14(21-17)8-10-4-2-1-3-5-10/h1-9,18H/b14-8-
InChI Key NULUMMBDIFUOPU-ZSOIEALJSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C17H10O4
Molecular Weight 278.26 g/mol
Exact Mass 278.05790880 g/mol
Topological Polar Surface Area (TPSA) 59.70 Ų
XlogP 4.20

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of (2Z)-2-benzylidene-4-hydroxyfuro[2,3-g][1]benzofuran-3-one

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
CHEMBL1951 P21397 Monoamine oxidase A 99.85% 91.49%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 99.50% 91.11%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 97.81% 95.56%
CHEMBL1806 P11388 DNA topoisomerase II alpha 93.90% 89.00%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 93.61% 99.23%
CHEMBL2581 P07339 Cathepsin D 91.76% 98.95%
CHEMBL3401 O75469 Pregnane X receptor 85.28% 94.73%
CHEMBL2035 P08912 Muscarinic acetylcholine receptor M5 84.21% 94.62%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 84.02% 94.45%
CHEMBL240 Q12809 HERG 83.33% 89.76%
CHEMBL1293249 Q13887 Kruppel-like factor 5 82.67% 86.33%

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 73950860
LOTUS LTS0092594
wikiData Q105185938