(1E,3R,4S,5E,7S)-1,8,8-tribromo-3,4,7-trichloro-3,7-dimethylocta-1,5-diene

Details

• Internal ID: 1b6d1a1b-6bfb-47dc-b0b5-b257c7c4be7b
• Taxonomy: Organohalogen compounds > Vinyl halides > Vinyl bromides
• IUPAC Name: (1E,3R,4S,5E,7S)-1,8,8-tribromo-3,4,7-trichloro-3,7-dimethylocta-1,5-diene
• InChI: InChI=1S/C10H12Br3Cl3/c1-9(15,5-6-11)7(14)3-4-10(2,16)8(12)13/h3-8H,1-2H3/b4-3+,6-5+/t7-,9+,10-/m0/s1
• InChI Key: SULCBXDYEPVPKS-FOZLDROZSA-N
• Popularity: 3 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₀H₁₂Br₃Cl₃
• Molecular Weight: 478.30 g/mol
• Exact Mass: 475.75342 g/mol
• Topological Polar Surface Area (TPSA): 0.00 Ų
• XlogP: 5.50

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	92.15%	89.34%
CHEMBL2265	P23141	Acyl coenzyme A:cholesterol acyltransferase	88.07%	85.94%
CHEMBL253	P34972	Cannabinoid CB2 receptor	85.87%	97.25%
CHEMBL235	P37231	Peroxisome proliferator-activated receptor gamma	81.44%	95.39%
CHEMBL4303	P08238	Heat shock protein HSP 90-beta	81.03%	96.77%
CHEMBL3401	O75469	Pregnane X receptor	80.69%	94.73%
CHEMBL3359	P21462	Formyl peptide receptor 1	80.19%	93.56%
CHEMBL3091268	Q92753	Nuclear receptor ROR-beta	80.00%	95.50%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 23425271
• LOTUS: LTS0101674
• wikiData: Q105261045