Ethyleugenol

Details

• Internal ID: a606c33b-d1b0-4509-bf4e-84fc0eba8340
• Taxonomy: Benzenoids > Phenol ethers > Anisoles
• IUPAC Name: 1-ethoxy-2-methoxy-4-prop-2-enylbenzene
• InChI: InChI=1S/C12H16O2/c1-4-6-10-7-8-11(14-5-2)12(9-10)13-3/h4,7-9H,1,5-6H2,2-3H3
• InChI Key: OTMFQLIUPDESAI-UHFFFAOYSA-N
• Popularity: 7 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₂H₁₆O₂
• Molecular Weight: 192.25 g/mol
• Exact Mass: 192.115029749 g/mol
• Topological Polar Surface Area (TPSA): 18.50 Ų
• XlogP: 2.90

Synonyms

• 74368-00-6
• SCHEMBL357018
• CHEMBL2270962
• OTMFQLIUPDESAI-UHFFFAOYSA-N
• DTXSID501261804
• 1-Ethoxy-2-methoxy-4-(2-propen-1-yl)benzene
• 1-ethoxy-2-methoxy-4-(2-propen-1-yl)-benzene

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	95.01%	96.09%
CHEMBL3060	Q9Y345	Glycine transporter 2	91.12%	99.17%
CHEMBL1293249	Q13887	Kruppel-like factor 5	89.57%	86.33%
CHEMBL2581	P07339	Cathepsin D	89.51%	98.95%
CHEMBL3492	P49721	Proteasome Macropain subunit	87.53%	90.24%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	84.27%	94.45%
CHEMBL335	P18031	Protein-tyrosine phosphatase 1B	83.64%	95.17%
CHEMBL1951	P21397	Monoamine oxidase A	83.53%	91.49%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	83.02%	94.00%
CHEMBL2535	P11166	Glucose transporter	82.89%	98.75%
CHEMBL5608	Q16288	NT-3 growth factor receptor	82.21%	95.89%
CHEMBL3091268	Q92753	Nuclear receptor ROR-beta	81.05%	95.50%
CHEMBL4208	P20618	Proteasome component C5	81.05%	90.00%
CHEMBL1255126	O15151	Protein Mdm4	80.96%	90.20%
CHEMBL3401	O75469	Pregnane X receptor	80.28%	94.73%

Plants that contains it

• Aloysia citrodora
• Asarum yakusimense

Cross-Links

• PubChem: 6429690
• LOTUS: LTS0080655
• wikiData: Q104376114