Methyl 2-(1-acetyloxypenta-2,4-diynyl)-6-methoxybenzoate

Details

• Internal ID: b9feebf5-9f71-4fb9-abb7-72d3f9daa1db
• Taxonomy: Benzenoids > Benzene and substituted derivatives > Benzoic acids and derivatives > Methoxybenzoic acids and derivatives > O-methoxybenzoic acids and derivatives
• IUPAC Name: methyl 2-(1-acetyloxypenta-2,4-diynyl)-6-methoxybenzoate
• InChI: InChI=1S/C16H14O5/c1-5-6-9-13(21-11(2)17)12-8-7-10-14(19-3)15(12)16(18)20-4/h1,7-8,10,13H,2-4H3
• InChI Key: PMHQPEQGSYZDCV-UHFFFAOYSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₆H₁₄O₅
• Molecular Weight: 286.28 g/mol
• Exact Mass: 286.08412354 g/mol
• Topological Polar Surface Area (TPSA): 61.80 Ų
• XlogP: 2.10

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
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	96.54%	96.09%
CHEMBL2535	P11166	Glucose transporter	92.08%	98.75%
CHEMBL1075094	Q16236	Nuclear factor erythroid 2-related factor 2	91.59%	96.00%
CHEMBL1255126	O15151	Protein Mdm4	90.91%	90.20%
CHEMBL2581	P07339	Cathepsin D	88.85%	98.95%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	88.63%	91.11%
CHEMBL3091268	Q92753	Nuclear receptor ROR-beta	87.49%	95.50%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	86.94%	94.45%
CHEMBL1293249	Q13887	Kruppel-like factor 5	86.33%	86.33%
CHEMBL3060	Q9Y345	Glycine transporter 2	84.31%	99.17%
CHEMBL4657	Q6V1X1	Dipeptidyl peptidase VIII	83.70%	97.21%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	82.74%	85.14%
CHEMBL5028	O14672	ADAM10	82.20%	97.50%

Plants that contains it

• Argyranthemum frutescens

Cross-Links

• PubChem: 85860437
• LOTUS: LTS0073169
• wikiData: Q105211470