(1R,2R,4R)-2,4-dichloro-1-(2-chloroethenyl)-1-methyl-5-methylidenecyclohexane

Details

• Internal ID: 83e63636-dfc6-4cf5-a622-6d458bcbf34f
• Taxonomy: Organohalogen compounds > Vinyl halides > Vinyl chlorides
• IUPAC Name: (1R,2R,4R)-2,4-dichloro-1-(2-chloroethenyl)-1-methyl-5-methylidenecyclohexane
• InChI: InChI=1S/C10H13Cl3/c1-7-6-10(2,3-4-11)9(13)5-8(7)12/h3-4,8-9H,1,5-6H2,2H3/t8-,9-,10+/m1/s1
• InChI Key: UIGKAXNXTQIYIW-BBBLOLIVSA-N
• Popularity: 2 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₀H₁₃Cl₃
• Molecular Weight: 239.60 g/mol
• Exact Mass: 238.008283 g/mol
• Topological Polar Surface Area (TPSA): 0.00 Ų
• XlogP: 3.90

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	94.54%	97.25%
CHEMBL221	P23219	Cyclooxygenase-1	94.36%	90.17%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	89.13%	91.11%
CHEMBL1951	P21397	Monoamine oxidase A	88.99%	91.49%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	86.12%	96.09%
CHEMBL1937	Q92769	Histone deacetylase 2	85.89%	94.75%
CHEMBL4224	P49759	Dual specificty protein kinase CLK1	85.34%	85.30%
CHEMBL1293267	Q9HC97	G-protein coupled receptor 35	82.30%	89.34%
CHEMBL3137262	O60341	LSD1/CoREST complex	82.10%	97.09%
CHEMBL2996	Q05655	Protein kinase C delta	81.18%	97.79%
CHEMBL5608	Q16288	NT-3 growth factor receptor	80.50%	95.89%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 163193674
• LOTUS: LTS0161857
• wikiData: Q105273369