4-Methoxy-5-(1-methoxy-3-phenylprop-2-enylidene)furan-2-one

Details

• Internal ID: ebde20a1-95ed-4b76-9ad6-a8778a418604
• Taxonomy: Benzenoids > Benzene and substituted derivatives > Styrenes
• IUPAC Name: 4-methoxy-5-(1-methoxy-3-phenylprop-2-enylidene)furan-2-one
• SMILES (Canonical): COC1=CC(=O)OC1=C(C=CC2=CC=CC=C2)OC
• SMILES (Isomeric): COC1=CC(=O)OC1=C(C=CC2=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
• InChI Key: KCEXIHRAFXNPSN-UHFFFAOYSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• 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

There are no found synonyms.

2D Structure

ADMET Properties (via admetSAR 2)

Target	Value	Probability (raw)	Probability (%)
No predicted properties yet!

Targets

Proven Targets:

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

• Piper sanctum

Cross-Links

• PubChem: 162987629
• LOTUS: LTS0093465
• wikiData: Q105138689