Taveuniamide G

Details

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Internal ID 9d11723e-9c8b-4e6a-ada1-caca33dadccc
Taxonomy Organic acids and derivatives > Carboxylic acids and derivatives > Carboxylic acid derivatives > Carboxylic acid amides > Acetamides
IUPAC Name N-(1,1,15,15-tetrachloropentadec-1-en-3,12-diyn-8-yl)acetamide
SMILES (Canonical) CC(=O)NC(CCCC#CCC(Cl)Cl)CCCC#CC=C(Cl)Cl
SMILES (Isomeric) CC(=O)NC(CCCC#CCC(Cl)Cl)CCCC#CC=C(Cl)Cl
InChI InChI=1S/C17H21Cl4NO/c1-14(23)22-15(10-6-2-4-8-12-16(18)19)11-7-3-5-9-13-17(20)21/h12,15,17H,2-3,6-7,10-11,13H2,1H3,(H,22,23)
InChI Key UJHURGUGOWAGMH-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C17H21Cl4NO
Molecular Weight 397.20 g/mol
Exact Mass 397.034775 g/mol
Topological Polar Surface Area (TPSA) 29.10 Ų
XlogP 6.00

Synonyms

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DTXSID601334707

2D Structure

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2D Structure of Taveuniamide G

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
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 94.90% 91.11%
CHEMBL3976 Q9UHL4 Dipeptidyl peptidase II 92.56% 92.29%
CHEMBL4657 Q6V1X1 Dipeptidyl peptidase VIII 92.01% 97.21%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 90.97% 96.09%
CHEMBL4793 Q86TI2 Dipeptidyl peptidase IX 90.05% 96.95%
CHEMBL240 Q12809 HERG 89.09% 89.76%
CHEMBL3060 Q9Y345 Glycine transporter 2 88.62% 99.17%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 88.30% 94.45%
CHEMBL1293267 Q9HC97 G-protein coupled receptor 35 87.28% 89.34%
CHEMBL3401 O75469 Pregnane X receptor 86.91% 94.73%
CHEMBL340 P08684 Cytochrome P450 3A4 85.86% 91.19%
CHEMBL1907591 P30926 Neuronal acetylcholine receptor; alpha4/beta4 85.62% 100.00%
CHEMBL3145 P42338 PI3-kinase p110-beta subunit 85.18% 98.75%
CHEMBL2955 O95136 Sphingosine 1-phosphate receptor Edg-5 84.21% 92.86%
CHEMBL221 P23219 Cyclooxygenase-1 84.18% 90.17%
CHEMBL256 P0DMS8 Adenosine A3 receptor 83.88% 95.93%
CHEMBL3359 P21462 Formyl peptide receptor 1 82.78% 93.56%
CHEMBL230 P35354 Cyclooxygenase-2 82.28% 89.63%
CHEMBL2581 P07339 Cathepsin D 81.75% 98.95%
CHEMBL2111367 P27986 PI3-kinase p110-alpha/p85-alpha 80.18% 94.33%

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 21777622
LOTUS LTS0234235
wikiData Q77562083