1,4,8-Tribromo-3,7-dichloro-3,7-dimethylocta-1,5-diene

Details

• Internal ID: deb20170-d062-4018-a2b7-a0328e909793
• Taxonomy: Organohalogen compounds > Vinyl halides > Vinyl bromides
• IUPAC Name: 1,4,8-tribromo-3,7-dichloro-3,7-dimethylocta-1,5-diene
• SMILES (Canonical): CC(CBr)(C=CC(C(C)(C=CBr)Cl)Br)Cl
• SMILES (Isomeric): CC(CBr)(C=CC(C(C)(C=CBr)Cl)Br)Cl
• InChI: InChI=1S/C10H13Br3Cl2/c1-9(14,7-12)4-3-8(13)10(2,15)5-6-11/h3-6,8H,7H2,1-2H3
• InChI Key: GLSFBAAWNMTDGV-UHFFFAOYSA-N
• Popularity: 1 reference in papers

Physical and Chemical Properties

• Molecular Formula: C₁₀H₁₃Br₃Cl₂
• Molecular Weight: 443.80 g/mol
• Exact Mass: 441.79239 g/mol
• Topological Polar Surface Area (TPSA): 0.00 Ų
• XlogP: 4.70

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
CHEMBL1293267	Q9HC97	G-protein coupled receptor 35	89.82%	89.34%
CHEMBL2265	P23141	Acyl coenzyme A:cholesterol acyltransferase	85.31%	85.94%
CHEMBL2581	P07339	Cathepsin D	84.55%	98.95%
CHEMBL253	P34972	Cannabinoid CB2 receptor	84.40%	97.25%
CHEMBL3976	Q9UHL4	Dipeptidyl peptidase II	82.02%	92.29%
CHEMBL1907	P15144	Aminopeptidase N	81.93%	93.31%
CHEMBL3401	O75469	Pregnane X receptor	81.88%	94.73%
CHEMBL4303	P08238	Heat shock protein HSP 90-beta	81.76%	96.77%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	80.21%	96.09%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 73815008
• LOTUS: LTS0202891
• wikiData: Q105011239