3-(3,4,5-Trimethoxyphenyl)prop-2-enyl deca-2,6-dien-4-ynoate

Details

• Internal ID: a4df00e1-df93-4100-9bd5-7a5ae8795f90
• Taxonomy: Benzenoids > Phenol ethers > Anisoles
• IUPAC Name: 3-(3,4,5-trimethoxyphenyl)prop-2-enyl deca-2,6-dien-4-ynoate
• InChI: InChI=1S/C22H26O5/c1-5-6-7-8-9-10-11-14-21(23)27-15-12-13-18-16-19(24-2)22(26-4)20(17-18)25-3/h7-8,11-14,16-17H,5-6,15H2,1-4H3
• InChI Key: IPYNNTXVGLIHRS-UHFFFAOYSA-N
• Popularity: 3 references in papers

Physical and Chemical Properties

• Molecular Formula: C₂₂H₂₆O₅
• Molecular Weight: 370.40 g/mol
• Exact Mass: 370.17802393 g/mol
• Topological Polar Surface Area (TPSA): 54.00 Ų
• XlogP: 5.00

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
CHEMBL1075094	Q16236	Nuclear factor erythroid 2-related factor 2	96.92%	96.00%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	95.53%	96.09%
CHEMBL1293249	Q13887	Kruppel-like factor 5	94.52%	86.33%
CHEMBL3060	Q9Y345	Glycine transporter 2	92.22%	99.17%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	88.41%	95.56%
CHEMBL4793	Q86TI2	Dipeptidyl peptidase IX	86.90%	96.95%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	86.18%	91.11%
CHEMBL2535	P11166	Glucose transporter	81.52%	98.75%
CHEMBL1806	P11388	DNA topoisomerase II alpha	81.39%	89.00%

Plants that contains it

• Dimerostemma asperatum
• Dimerostemma brasilianum

Cross-Links

• PubChem: 86024321
• LOTUS: LTS0085125
• wikiData: Q105117589