Fungerin

Details

• Internal ID: 12187d86-4274-4528-bb94-4b355ad7ac38
• Taxonomy: Organoheterocyclic compounds > Azoles > Imidazoles > Substituted imidazoles > Imidazolyl carboxylic acids and derivatives
• IUPAC Name: methyl (E)-3-[1-methyl-5-(3-methylbut-2-enyl)imidazol-4-yl]prop-2-enoate
• InChI: InChI=1S/C13H18N2O2/c1-10(2)5-7-12-11(14-9-15(12)3)6-8-13(16)17-4/h5-6,8-9H,7H2,1-4H3/b8-6+
• InChI Key: LLJZWVUHEIKSRC-SOFGYWHQSA-N
• Popularity: 6 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₃H₁₈N₂O₂
• Molecular Weight: 234.29 g/mol
• Exact Mass: 234.136827821 g/mol
• Topological Polar Surface Area (TPSA): 44.10 Ų
• XlogP: 2.30

Synonyms

• Methyl (E)-3-[1-methyl-5-(3-methylbut-2-enyl)imidazol-4-yl]prop-2-enoate
• methyl (E)-3-(1-methyl-5-(3-methylbut-2-enyl)imidazol-4-yl)prop-2-enoate
• RefChem:141717
• 185681-81-6
• CHEBI:224865
• AKOS030213193
• BS-1185
• Methyl (E)-3-(1-methyl-5-(3-methylbut-2-en-1-yl)-1H-imidazol-4-yl)acrylate

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
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	96.98%	96.09%
CHEMBL1293249	Q13887	Kruppel-like factor 5	93.19%	86.33%
CHEMBL1075094	Q16236	Nuclear factor erythroid 2-related factor 2	93.04%	96.00%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	90.88%	85.14%
CHEMBL2581	P07339	Cathepsin D	87.86%	98.95%
CHEMBL3401	O75469	Pregnane X receptor	87.62%	94.73%
CHEMBL3060	Q9Y345	Glycine transporter 2	83.25%	99.17%
CHEMBL4208	P20618	Proteasome component C5	81.59%	90.00%
CHEMBL5163	Q9NY46	Sodium channel protein type III alpha subunit	80.42%	96.90%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 10082774
• LOTUS: LTS0195673
• wikiData: Q77509575