6-(Bromomethylidene)-3-chloro-2-methylocta-1,7-diene

Details

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Internal ID 081dd0b2-962a-4453-9bbb-744bf16cc9ed
Taxonomy Organohalogen compounds > Vinyl halides > Vinyl bromides
IUPAC Name 6-(bromomethylidene)-3-chloro-2-methylocta-1,7-diene
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C10H14BrCl/c1-4-9(7-11)5-6-10(12)8(2)3/h4,7,10H,1-2,5-6H2,3H3
InChI Key OGYXYZYGQVDGED-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C10H14BrCl
Molecular Weight 249.57 g/mol
Exact Mass 247.99674 g/mol
Topological Polar Surface Area (TPSA) 0.00 Ų
XlogP 5.00

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 6-(Bromomethylidene)-3-chloro-2-methylocta-1,7-diene

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
CHEMBL2581 P07339 Cathepsin D 88.50% 98.95%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 88.06% 96.09%
CHEMBL203 P00533 Epidermal growth factor receptor erbB1 85.74% 97.34%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 84.38% 91.11%
CHEMBL221 P23219 Cyclooxygenase-1 82.22% 90.17%
CHEMBL3401 O75469 Pregnane X receptor 81.66% 94.73%
CHEMBL3587 Q02750 Dual specificity mitogen-activated protein kinase kinase 1 81.64% 97.93%
CHEMBL3060 Q9Y345 Glycine transporter 2 80.86% 99.17%

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 73836655
LOTUS LTS0121613
wikiData Q105191947