1,6-Dibromo-2,7-dichloro-3,7-dimethylocta-1,3-diene

Details

• Internal ID: 5d50db2f-4586-4cae-bf4a-655182123c22
• Taxonomy: Organohalogen compounds > Vinyl halides > Vinyl chlorides
• IUPAC Name: 1,6-dibromo-2,7-dichloro-3,7-dimethylocta-1,3-diene
• SMILES (Canonical): CC(=CCC(C(C)(C)Cl)Br)C(=CBr)Cl
• SMILES (Isomeric): CC(=CCC(C(C)(C)Cl)Br)C(=CBr)Cl
• InChI: InChI=1S/C10H14Br2Cl2/c1-7(8(13)6-11)4-5-9(12)10(2,3)14/h4,6,9H,5H2,1-3H3
• InChI Key: BUUZNDRSQGLKGO-UHFFFAOYSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₀H₁₄Br₂Cl₂
• Molecular Weight: 364.93 g/mol
• Exact Mass: 363.88188 g/mol
• Topological Polar Surface Area (TPSA): 0.00 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
CHEMBL253	P34972	Cannabinoid CB2 receptor	93.62%	97.25%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	86.16%	96.09%
CHEMBL4793	Q86TI2	Dipeptidyl peptidase IX	85.57%	96.95%
CHEMBL2885	P07451	Carbonic anhydrase III	85.15%	87.45%
CHEMBL1293267	Q9HC97	G-protein coupled receptor 35	84.11%	89.34%
CHEMBL3401	O75469	Pregnane X receptor	83.58%	94.73%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	82.98%	91.11%
CHEMBL2581	P07339	Cathepsin D	82.48%	98.95%
CHEMBL3976	Q9UHL4	Dipeptidyl peptidase II	82.03%	92.29%
CHEMBL1907594	P30926	Neuronal acetylcholine receptor; alpha3/beta4	81.47%	97.23%
CHEMBL4657	Q6V1X1	Dipeptidyl peptidase VIII	81.09%	97.21%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 74052095
• LOTUS: LTS0084387
• wikiData: Q104946336