(5Z)-4-methoxy-5-[(E)-1-methoxy-3-phenylprop-2-enylidene]furan-2-one

Details

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Internal ID ee62ebaa-8ebe-4658-ba05-24e754af56c7
Taxonomy Benzenoids > Benzene and substituted derivatives > Styrenes
IUPAC Name (5Z)-4-methoxy-5-[(E)-1-methoxy-3-phenylprop-2-enylidene]furan-2-one
SMILES (Canonical) COC1=CC(=O)OC1=C(C=CC2=CC=CC=C2)OC
SMILES (Isomeric) COC\1=CC(=O)O/C1=C(/C=C/C2=CC=CC=C2)\OC
InChI InChI=1S/C15H14O4/c1-17-12(9-8-11-6-4-3-5-7-11)15-13(18-2)10-14(16)19-15/h3-10H,1-2H3/b9-8+,15-12-
InChI Key KCEXIHRAFXNPSN-YHAURASGSA-N
Popularity 1 reference in papers

Physical and Chemical Properties

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Molecular Formula C15H14O4
Molecular Weight 258.27 g/mol
Exact Mass 258.08920892 g/mol
Topological Polar Surface Area (TPSA) 44.80 Ų
XlogP 2.40

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of (5Z)-4-methoxy-5-[(E)-1-methoxy-3-phenylprop-2-enylidene]furan-2-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
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 97.95% 91.11%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 96.31% 95.56%
CHEMBL1293249 Q13887 Kruppel-like factor 5 94.55% 86.33%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 91.19% 96.00%
CHEMBL2581 P07339 Cathepsin D 90.85% 98.95%
CHEMBL3192 Q9BY41 Histone deacetylase 8 89.01% 93.99%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 86.31% 85.14%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 83.85% 99.23%
CHEMBL3060 Q9Y345 Glycine transporter 2 81.86% 99.17%
CHEMBL2535 P11166 Glucose transporter 81.61% 98.75%

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.
Piper sanctum

Cross-Links

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PubChem 73946051
LOTUS LTS0107754
wikiData Q105138690