1-Methoxy-4-[6-(4-methoxyphenyl)hexa-1,5-dienyl]benzene

Details

• Internal ID: ad7b7e1b-676a-47e0-b713-fa3ddbec6b49
• Taxonomy: Benzenoids > Phenol ethers > Anisoles
• IUPAC Name: 1-methoxy-4-[6-(4-methoxyphenyl)hexa-1,5-dienyl]benzene
• SMILES (Canonical): COC1=CC=C(C=C1)C=CCCC=CC2=CC=C(C=C2)OC
• SMILES (Isomeric): COC1=CC=C(C=C1)C=CCCC=CC2=CC=C(C=C2)OC
• InChI: InChI=1S/C20H22O2/c1-21-19-13-9-17(10-14-19)7-5-3-4-6-8-18-11-15-20(22-2)16-12-18/h5-16H,3-4H2,1-2H3
• InChI Key: FWOYMKXDIXNXIC-UHFFFAOYSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₂₀H₂₂O₂
• Molecular Weight: 294.40 g/mol
• Exact Mass: 294.161979940 g/mol
• Topological Polar Surface Area (TPSA): 18.50 Ų
• XlogP: 5.40

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	94.13%	96.00%
CHEMBL3192	Q9BY41	Histone deacetylase 8	92.33%	93.99%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	91.20%	91.11%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	90.90%	96.09%
CHEMBL1907	P15144	Aminopeptidase N	90.76%	93.31%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	90.51%	95.56%
CHEMBL1293249	Q13887	Kruppel-like factor 5	88.91%	86.33%
CHEMBL4208	P20618	Proteasome component C5	86.89%	90.00%
CHEMBL3060	Q9Y345	Glycine transporter 2	86.15%	99.17%

Plants that contains it

• Ocimum americanum

Cross-Links

• PubChem: 85413178
• LOTUS: LTS0168756
• wikiData: Q105003458