1,8-Dibromo-5,6-dichloro-2,6-dimethylocta-1,3,7-triene

Details

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Internal ID 6dcfb183-8af5-47fa-93d6-dfa973628563
Taxonomy Organohalogen compounds > Vinyl halides > Vinyl bromides
IUPAC Name 1,8-dibromo-5,6-dichloro-2,6-dimethylocta-1,3,7-triene
SMILES (Canonical) CC(=CBr)C=CC(C(C)(C=CBr)Cl)Cl
SMILES (Isomeric) CC(=CBr)C=CC(C(C)(C=CBr)Cl)Cl
InChI InChI=1S/C10H12Br2Cl2/c1-8(7-12)3-4-9(13)10(2,14)5-6-11/h3-7,9H,1-2H3
InChI Key UWZOIUBBJJHQJC-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C10H12Br2Cl2
Molecular Weight 362.91 g/mol
Exact Mass 361.86623 g/mol
Topological Polar Surface Area (TPSA) 0.00 Ų
XlogP 4.90

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 1,8-Dibromo-5,6-dichloro-2,6-dimethylocta-1,3,7-triene

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
CHEMBL1293267 Q9HC97 G-protein coupled receptor 35 88.21% 89.34%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 84.36% 91.11%
CHEMBL253 P34972 Cannabinoid CB2 receptor 84.14% 97.25%
CHEMBL3401 O75469 Pregnane X receptor 83.29% 94.73%
CHEMBL3976 Q9UHL4 Dipeptidyl peptidase II 82.68% 92.29%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 82.29% 96.09%
CHEMBL4303 P08238 Heat shock protein HSP 90-beta 81.58% 96.77%

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 73814992
LOTUS LTS0227251
wikiData Q105280644