1,8-Dibromo-7-chloro-3,7-dimethyloct-3-ene-2,6-diol

Details

• Internal ID: c1a9dff4-3624-479f-a36d-b4cf0d73c07f
• Taxonomy: Organohalogen compounds > Halohydrins > Chlorohydrins
• IUPAC Name: 1,8-dibromo-7-chloro-3,7-dimethyloct-3-ene-2,6-diol
• InChI: InChI=1S/C10H17Br2ClO2/c1-7(8(14)5-11)3-4-9(15)10(2,13)6-12/h3,8-9,14-15H,4-6H2,1-2H3
• InChI Key: IUOFNEYPSNEOOA-UHFFFAOYSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₀H₁₇Br₂ClO₂
• Molecular Weight: 364.50 g/mol
• Exact Mass: 363.92633 g/mol
• Topological Polar Surface Area (TPSA): 40.50 Ų
• XlogP: 2.70

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
CHEMBL253	P34972	Cannabinoid CB2 receptor	94.64%	97.25%
CHEMBL2581	P07339	Cathepsin D	88.47%	98.95%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	87.99%	96.09%
CHEMBL1293267	Q9HC97	G-protein coupled receptor 35	87.74%	89.34%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	86.03%	91.11%
CHEMBL3401	O75469	Pregnane X receptor	85.18%	94.73%
CHEMBL3892	Q99500	Sphingosine 1-phosphate receptor Edg-3	83.65%	97.29%
CHEMBL3976	Q9UHL4	Dipeptidyl peptidase II	82.61%	92.29%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	80.53%	94.45%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 73099713
• LOTUS: LTS0063380
• wikiData: Q104169136