Asenjonamide A

Details

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Internal ID 88dcc184-c4dc-4c00-a078-cf6ef166eedf
Taxonomy Organic oxygen compounds > Organooxygen compounds > Carbonyl compounds > Alpha,beta-unsaturated ketones > b-hydroxy-alpha,beta-unsaturated ketones
IUPAC Name (E)-N-(2-hydroxyethyl)-2,4-dimethyl-3-oxonon-4-enamide
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C13H23NO3/c1-4-5-6-7-10(2)12(16)11(3)13(17)14-8-9-15/h7,11,15H,4-6,8-9H2,1-3H3,(H,14,17)/b10-7+
InChI Key QCSJTWOCRWORFI-JXMROGBWSA-N
Popularity 2 references in papers

Physical and Chemical Properties

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Molecular Formula C13H23NO3
Molecular Weight 241.33 g/mol
Exact Mass 241.16779360 g/mol
Topological Polar Surface Area (TPSA) 66.40 Ų
XlogP 2.00

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of Asenjonamide A

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 98.16% 98.95%
CHEMBL3892 Q99500 Sphingosine 1-phosphate receptor Edg-3 95.72% 97.29%
CHEMBL2885 P07451 Carbonic anhydrase III 94.75% 87.45%
CHEMBL3359 P21462 Formyl peptide receptor 1 91.56% 93.56%
CHEMBL3060 Q9Y345 Glycine transporter 2 91.49% 99.17%
CHEMBL1907602 P06493 Cyclin-dependent kinase 1/cyclin B1 90.78% 91.24%
CHEMBL4657 Q6V1X1 Dipeptidyl peptidase VIII 90.54% 97.21%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 89.79% 91.11%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 89.05% 96.09%
CHEMBL4793 Q86TI2 Dipeptidyl peptidase IX 88.42% 96.95%
CHEMBL5261 Q7L7X3 Serine/threonine-protein kinase TAO1 87.75% 89.33%
CHEMBL1907591 P30926 Neuronal acetylcholine receptor; alpha4/beta4 87.19% 100.00%
CHEMBL3976 Q9UHL4 Dipeptidyl peptidase II 86.07% 92.29%
CHEMBL4227 P25090 Lipoxin A4 receptor 85.80% 100.00%
CHEMBL1293267 Q9HC97 G-protein coupled receptor 35 85.72% 89.34%
CHEMBL299 P17252 Protein kinase C alpha 84.91% 98.03%
CHEMBL1907605 P24864 Cyclin-dependent kinase 2/cyclin E1 84.70% 92.88%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 84.56% 94.45%
CHEMBL2955 O95136 Sphingosine 1-phosphate receptor Edg-5 84.27% 92.86%
CHEMBL2111367 P27986 PI3-kinase p110-alpha/p85-alpha 83.04% 94.33%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 82.87% 96.00%
CHEMBL5701 Q9H2K8 Serine/threonine-protein kinase TAO3 81.63% 96.67%
CHEMBL2964 P36507 Dual specificity mitogen-activated protein kinase kinase 2 80.99% 80.00%
CHEMBL5163 Q9NY46 Sodium channel protein type III alpha subunit 80.37% 96.90%
CHEMBL2996 Q05655 Protein kinase C delta 80.29% 97.79%
CHEMBL3401 O75469 Pregnane X receptor 80.21% 94.73%

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 139589507
LOTUS LTS0012149
wikiData Q105218541