2-Methoxy-1-(2-methoxy-4-prop-2-enylphenyl)peroxy-4-prop-2-enylbenzene

Details

• Internal ID: 19b52950-fc4d-45de-9741-cecf81013cca
• Taxonomy: Benzenoids > Phenol ethers > Anisoles
• IUPAC Name: 2-methoxy-1-(2-methoxy-4-prop-2-enylphenyl)peroxy-4-prop-2-enylbenzene
• SMILES (Canonical): COC1=C(C=CC(=C1)CC=C)OOC2=C(C=C(C=C2)CC=C)OC
• SMILES (Isomeric): COC1=C(C=CC(=C1)CC=C)OOC2=C(C=C(C=C2)CC=C)OC
• InChI: InChI=1S/C20H22O4/c1-5-7-15-9-11-17(19(13-15)21-3)23-24-18-12-10-16(8-6-2)14-20(18)22-4/h5-6,9-14H,1-2,7-8H2,3-4H3
• InChI Key: SEJZCZHZNVUJKW-UHFFFAOYSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₂₀H₂₂O₄
• Molecular Weight: 326.40 g/mol
• Exact Mass: 326.15180918 g/mol
• Topological Polar Surface Area (TPSA): 36.90 Ų
• XlogP: 5.80

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	94.24%	96.09%
CHEMBL3492	P49721	Proteasome Macropain subunit	92.39%	90.24%
CHEMBL2581	P07339	Cathepsin D	90.14%	98.95%
CHEMBL1293249	Q13887	Kruppel-like factor 5	89.34%	86.33%
CHEMBL1255126	O15151	Protein Mdm4	89.21%	90.20%
CHEMBL3060	Q9Y345	Glycine transporter 2	87.19%	99.17%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	83.19%	94.45%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	82.95%	95.56%
CHEMBL4208	P20618	Proteasome component C5	82.49%	90.00%
CHEMBL5608	Q16288	NT-3 growth factor receptor	80.49%	95.89%
CHEMBL3091268	Q92753	Nuclear receptor ROR-beta	80.05%	95.50%

Plants that contains it

• Solanum tuberosum
• Virola surinamensis

Cross-Links

• PubChem: 87656359
• LOTUS: LTS0232674
• wikiData: Q105375535