Taveuniamide H

Details

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Internal ID 4c43a687-51b8-402a-872e-09698cc2d913
Taxonomy Organic acids and derivatives > Carboxylic acids and derivatives > Carboxylic acid derivatives > Carboxylic acid amides > Acetamides
IUPAC Name N-[(1E,14E)-1,15-dichloropentadeca-1,14-dien-3,12-diyn-8-yl]acetamide
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C17H21Cl2NO/c1-16(21)20-17(12-8-4-2-6-10-14-18)13-9-5-3-7-11-15-19/h10-11,14-15,17H,4-5,8-9,12-13H2,1H3,(H,20,21)/b14-10+,15-11+
InChI Key BKSORQIXSBADRL-WFYKWJGLSA-N
Popularity 3 references in papers

Physical and Chemical Properties

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Molecular Formula C17H21Cl2NO
Molecular Weight 326.30 g/mol
Exact Mass 325.1000197 g/mol
Topological Polar Surface Area (TPSA) 29.10 Ų
XlogP 4.60

Synonyms

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DTXSID501046723

2D Structure

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2D Structure of Taveuniamide H

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
CHEMBL4040 P28482 MAP kinase ERK2 93.88% 83.82%
CHEMBL1293267 Q9HC97 G-protein coupled receptor 35 93.25% 89.34%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 93.15% 96.09%
CHEMBL3976 Q9UHL4 Dipeptidyl peptidase II 92.82% 92.29%
CHEMBL4657 Q6V1X1 Dipeptidyl peptidase VIII 90.44% 97.21%
CHEMBL2581 P07339 Cathepsin D 90.34% 98.95%
CHEMBL3060 Q9Y345 Glycine transporter 2 90.15% 99.17%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 89.42% 91.11%
CHEMBL3145 P42338 PI3-kinase p110-beta subunit 87.83% 98.75%
CHEMBL4793 Q86TI2 Dipeptidyl peptidase IX 86.96% 96.95%
CHEMBL3267 P48736 PI3-kinase p110-gamma subunit 86.95% 95.71%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 85.82% 94.45%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 84.11% 96.00%
CHEMBL3401 O75469 Pregnane X receptor 83.64% 94.73%
CHEMBL2111367 P27986 PI3-kinase p110-alpha/p85-alpha 82.54% 94.33%
CHEMBL255 P29275 Adenosine A2b receptor 81.17% 98.59%
CHEMBL3359 P21462 Formyl peptide receptor 1 80.73% 93.56%
CHEMBL221 P23219 Cyclooxygenase-1 80.05% 90.17%

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 11151529
LOTUS LTS0061760
wikiData Q77498730