(2Z,4R,5E,7R)-4,8-dibromo-1,1,7-trichloro-3,7-dimethylocta-2,5-diene

Details

• Internal ID: 69f9e267-ee86-4a10-a404-1961a8bcf590
• Taxonomy: Organohalogen compounds > Organochlorides
• IUPAC Name: (2Z,4R,5E,7R)-4,8-dibromo-1,1,7-trichloro-3,7-dimethylocta-2,5-diene
• InChI: InChI=1S/C10H13Br2Cl3/c1-7(5-9(13)14)8(12)3-4-10(2,15)6-11/h3-5,8-9H,6H2,1-2H3/b4-3+,7-5-/t8-,10-/m1/s1
• InChI Key: XYWJXYNATGBZQB-DJPFKYFESA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₀H₁₃Br₂Cl₃
• Molecular Weight: 399.40 g/mol
• Exact Mass: 397.84291 g/mol
• Topological Polar Surface Area (TPSA): 0.00 Ų
• XlogP: 5.30

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
CHEMBL253	P34972	Cannabinoid CB2 receptor	87.07%	97.25%
CHEMBL3401	O75469	Pregnane X receptor	86.10%	94.73%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	85.90%	96.09%
CHEMBL1293267	Q9HC97	G-protein coupled receptor 35	85.57%	89.34%
CHEMBL242	Q92731	Estrogen receptor beta	84.39%	98.35%
CHEMBL2581	P07339	Cathepsin D	83.76%	98.95%
CHEMBL4793	Q86TI2	Dipeptidyl peptidase IX	81.82%	96.95%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	80.63%	91.11%
CHEMBL3976	Q9UHL4	Dipeptidyl peptidase II	80.28%	92.29%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 163085630
• LOTUS: LTS0207691
• wikiData: Q105344714