Methylmontiporate B

Details

• Internal ID: 92e268d5-8b28-4648-af69-f21112e3e1ce
• Taxonomy: Organic acids and derivatives > Carboxylic acids and derivatives > Carboxylic acid derivatives > Carboxylic acid esters > Methyl esters
• IUPAC Name: methyl 2-tetradec-13-en-2,4-diynoxyacetate
• InChI: InChI=1S/C17H24O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-20-16-17(18)19-2/h3H,1,4-10,15-16H2,2H3
• InChI Key: MJRGTFRAEXMYHE-UHFFFAOYSA-N
• Popularity: 2 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₇H₂₄O₃
• Molecular Weight: 276.40 g/mol
• Exact Mass: 276.17254462 g/mol
• Topological Polar Surface Area (TPSA): 35.50 Ų
• XlogP: 4.70

Synonyms

• CHEMBL465631

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	95.81%	96.09%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	94.45%	94.45%
CHEMBL3060	Q9Y345	Glycine transporter 2	94.24%	99.17%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	87.67%	91.11%
CHEMBL2111367	P27986	PI3-kinase p110-alpha/p85-alpha	87.02%	94.33%
CHEMBL3267	P48736	PI3-kinase p110-gamma subunit	86.77%	95.71%
CHEMBL1075094	Q16236	Nuclear factor erythroid 2-related factor 2	85.17%	96.00%
CHEMBL1907591	P30926	Neuronal acetylcholine receptor; alpha4/beta4	82.33%	100.00%
CHEMBL2581	P07339	Cathepsin D	81.67%	98.95%
CHEMBL1293267	Q9HC97	G-protein coupled receptor 35	80.96%	89.34%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 10880374
• LOTUS: LTS0214610
• wikiData: Q105130047