4-[(Z)-2-methylbut-2-enoyl]oxy-3-(3-methylbut-2-enyl)benzoic acid

Details

• Internal ID: 7711b9a4-5bf7-4eac-b112-e3aa824ab2af
• Taxonomy: Benzenoids > Phenol esters
• IUPAC Name: 4-[(Z)-2-methylbut-2-enoyl]oxy-3-(3-methylbut-2-enyl)benzoic acid
• InChI: InChI=1S/C17H20O4/c1-5-12(4)17(20)21-15-9-8-14(16(18)19)10-13(15)7-6-11(2)3/h5-6,8-10H,7H2,1-4H3,(H,18,19)/b12-5-
• InChI Key: NMIFYBVCNXCNLQ-XGICHPGQSA-N
• Popularity: 2 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₇H₂₀O₄
• Molecular Weight: 288.34 g/mol
• Exact Mass: 288.13615911 g/mol
• Topological Polar Surface Area (TPSA): 63.60 Ų
• XlogP: 4.30

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
CHEMBL1293249	Q13887	Kruppel-like factor 5	94.15%	86.33%
CHEMBL3060	Q9Y345	Glycine transporter 2	91.86%	99.17%
CHEMBL1255126	O15151	Protein Mdm4	89.06%	90.20%
CHEMBL1075094	Q16236	Nuclear factor erythroid 2-related factor 2	88.29%	96.00%
CHEMBL3194	P02766	Transthyretin	88.22%	90.71%
CHEMBL4208	P20618	Proteasome component C5	87.23%	90.00%
CHEMBL4657	Q6V1X1	Dipeptidyl peptidase VIII	87.22%	97.21%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	87.00%	96.09%
CHEMBL2581	P07339	Cathepsin D	86.86%	98.95%
CHEMBL3401	O75469	Pregnane X receptor	86.74%	94.73%
CHEMBL221	P23219	Cyclooxygenase-1	86.11%	90.17%
CHEMBL4793	Q86TI2	Dipeptidyl peptidase IX	85.12%	96.95%
CHEMBL3807	P17706	T-cell protein-tyrosine phosphatase	80.40%	93.00%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	80.36%	95.56%

Plants that contains it

• Ozothamnus obcordatus

Cross-Links

• PubChem: 101614958
• LOTUS: LTS0097872
• wikiData: Q105181792