Bis(trimethylsilyl) 2,4-bis(3-methoxy-4-trimethylsilyloxyphenyl)cyclobutane-1,3-dicarboxylate

Details

• Internal ID: 28bce0bb-593d-4b82-8a5a-e4b6e9b49ccc
• Taxonomy: Benzenoids > Phenol ethers > Anisoles
• IUPAC Name: bis(trimethylsilyl) 2,4-bis(3-methoxy-4-trimethylsilyloxyphenyl)cyclobutane-1,3-dicarboxylate
• SMILES (Canonical): COC1=C(C=CC(=C1)C2C(C(C2C(=O)O[Si](C)(C)C)C3=CC(=C(C=C3)O[Si](C)(C)C)OC)C(=O)O[Si](C)(C)C)O[Si](C)(C)C
• SMILES (Isomeric): COC1=C(C=CC(=C1)C2C(C(C2C(=O)O[Si](C)(C)C)C3=CC(=C(C=C3)O[Si](C)(C)C)OC)C(=O)O[Si](C)(C)C)O[Si](C)(C)C
• InChI: InChI=1S/C32H52O8Si4/c1-35-25-19-21(15-17-23(25)37-41(3,4)5)27-29(31(33)39-43(9,10)11)28(30(27)32(34)40-44(12,13)14)22-16-18-24(26(20-22)36-2)38-42(6,7)8/h15-20,27-30H,1-14H3
• InChI Key: QWBLGDARZQUVPF-UHFFFAOYSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₃₂H₅₂O₈Si₄
• Molecular Weight: 677.10 g/mol
• Exact Mass: 676.27392475 g/mol
• Topological Polar Surface Area (TPSA): 89.50 Ų
• XlogP: 0.00

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
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	96.37%	96.09%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	88.71%	85.14%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	88.23%	94.00%
CHEMBL1293249	Q13887	Kruppel-like factor 5	87.53%	86.33%
CHEMBL2535	P11166	Glucose transporter	85.88%	98.75%
CHEMBL1075094	Q16236	Nuclear factor erythroid 2-related factor 2	83.55%	96.00%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	82.40%	94.45%
CHEMBL241	Q14432	Phosphodiesterase 3A	81.80%	92.94%
CHEMBL3060	Q9Y345	Glycine transporter 2	80.33%	99.17%

Plants that contains it

• Cynodon dactylon

Cross-Links

• PubChem: 163029425
• LOTUS: LTS0084390
• wikiData: Q105229067