(3R,6R)-7-bromo-3-(bromomethyl)-2,3,6-trichloro-7-methyloct-1-ene

Details

• Internal ID: 0dc453a2-3cb7-4b74-9f78-e51a19165724
• Taxonomy: Organohalogen compounds > Vinyl halides > Vinyl chlorides
• IUPAC Name: (3R,6R)-7-bromo-3-(bromomethyl)-2,3,6-trichloro-7-methyloct-1-ene
• InChI: InChI=1S/C10H15Br2Cl3/c1-7(13)10(15,6-11)5-4-8(14)9(2,3)12/h8H,1,4-6H2,2-3H3/t8-,10+/m1/s1
• InChI Key: ZFHCZRDDIPJYNW-SCZZXKLOSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₀H₁₅Br₂Cl₃
• Molecular Weight: 401.40 g/mol
• Exact Mass: 399.85856 g/mol
• Topological Polar Surface Area (TPSA): 0.00 Ų
• XlogP: 5.20

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	95.37%	97.25%
CHEMBL1907594	P30926	Neuronal acetylcholine receptor; alpha3/beta4	89.72%	97.23%
CHEMBL2581	P07339	Cathepsin D	87.43%	98.95%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	85.91%	91.11%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	85.51%	96.09%
CHEMBL2265	P23141	Acyl coenzyme A:cholesterol acyltransferase	84.32%	85.94%
CHEMBL1293267	Q9HC97	G-protein coupled receptor 35	82.08%	89.34%
CHEMBL2335	P42785	Lysosomal Pro-X carboxypeptidase	81.46%	100.00%
CHEMBL2885	P07451	Carbonic anhydrase III	80.78%	87.45%
CHEMBL3359	P21462	Formyl peptide receptor 1	80.35%	93.56%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 162888134
• LOTUS: LTS0048123
• wikiData: Q105374153