7-Bromo-3-(bromomethyl)-3,6-dichloro-7-methyloct-1-ene

Details

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Internal ID 87792ddb-bffa-4425-b008-a59a77b821e3
Taxonomy Organohalogen compounds > Organochlorides
IUPAC Name 7-bromo-3-(bromomethyl)-3,6-dichloro-7-methyloct-1-ene
SMILES (Canonical) CC(C)(C(CCC(CBr)(C=C)Cl)Cl)Br
SMILES (Isomeric) CC(C)(C(CCC(CBr)(C=C)Cl)Cl)Br
InChI InChI=1S/C10H16Br2Cl2/c1-4-10(14,7-11)6-5-8(13)9(2,3)12/h4,8H,1,5-7H2,2-3H3
InChI Key VHVSYKNPIGTGLL-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C10H16Br2Cl2
Molecular Weight 366.94 g/mol
Exact Mass 365.89753 g/mol
Topological Polar Surface Area (TPSA) 0.00 Ų
XlogP 4.80

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 7-Bromo-3-(bromomethyl)-3,6-dichloro-7-methyloct-1-ene

3D Structure

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ADMET Properties (via admetSAR 2)

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Target Value Probability (raw) Probability (%)
No predicted properties yet!

Targets

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Proven Targets:

CHEMBL ID UniProt ID Name Min activity Assay type Source
No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID UniProt ID Name Probability Model accuracy
CHEMBL253 P34972 Cannabinoid CB2 receptor 90.10% 97.25%
CHEMBL1907 P15144 Aminopeptidase N 89.25% 93.31%
CHEMBL1293267 Q9HC97 G-protein coupled receptor 35 87.36% 89.34%
CHEMBL2581 P07339 Cathepsin D 87.06% 98.95%
CHEMBL3401 O75469 Pregnane X receptor 85.74% 94.73%
CHEMBL1907594 P30926 Neuronal acetylcholine receptor; alpha3/beta4 81.91% 97.23%
CHEMBL2265 P23141 Acyl coenzyme A:cholesterol acyltransferase 81.10% 85.94%

Plants that contains it

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Below are displayed all the plants proven (via scientific papers) to contain this compound!
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There are no matching plants.

Cross-Links

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PubChem 23424833
LOTUS LTS0132508
wikiData Q105286635