Karnamicin C4

Details

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Internal ID 8c1a564f-265d-4c5f-9cc0-f4e1f7340805
Taxonomy Organoheterocyclic compounds > Pyridines and derivatives > Pyridinecarboxylic acids and derivatives > Pyridinecarboxamides
IUPAC Name 3-hydroxy-4,5-dimethoxy-6-[2-(3-methyl-4-oxopentyl)-1,3-thiazol-4-yl]pyridine-2-carboxamide
SMILES (Canonical) CC(CCC1=NC(=CS1)C2=C(C(=C(C(=N2)C(=O)N)O)OC)OC)C(=O)C
SMILES (Isomeric) CC(CCC1=NC(=CS1)C2=C(C(=C(C(=N2)C(=O)N)O)OC)OC)C(=O)C
InChI InChI=1S/C17H21N3O5S/c1-8(9(2)21)5-6-11-19-10(7-26-11)12-15(24-3)16(25-4)14(22)13(20-12)17(18)23/h7-8,22H,5-6H2,1-4H3,(H2,18,23)
InChI Key DIYRCTJMTGPGBD-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C17H21N3O5S
Molecular Weight 379.40 g/mol
Exact Mass 379.12019195 g/mol
Topological Polar Surface Area (TPSA) 153.00 Ų
XlogP 1.80

Synonyms

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Karnamicin C4
3-hydroxy-4,5-dimethoxy-6-[2-(3-methyl-4-oxopentyl)-1,3-thiazol-4-yl]pyridine-2-carboxamide
3-Hydroxy-4,5-dimethoxy-6-[2-(3-methyl-4-oxopentyl)-4-thiazolyl]-2-pyridinecarboxamide

2D Structure

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2D Structure of Karnamicin C4

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
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 98.55% 96.09%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 93.42% 91.11%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 91.90% 85.14%
CHEMBL2581 P07339 Cathepsin D 91.66% 98.95%
CHEMBL3091268 Q92753 Nuclear receptor ROR-beta 90.41% 95.50%
CHEMBL3060 Q9Y345 Glycine transporter 2 90.11% 99.17%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 90.03% 96.00%
CHEMBL1293249 Q13887 Kruppel-like factor 5 89.64% 86.33%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 88.98% 94.00%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 86.39% 94.45%
CHEMBL3286 P00749 Urokinase-type plasminogen activator 86.19% 97.88%
CHEMBL290 Q13370 Phosphodiesterase 3B 85.48% 94.00%
CHEMBL3359 P21462 Formyl peptide receptor 1 84.91% 93.56%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 84.42% 99.15%
CHEMBL2885 P07451 Carbonic anhydrase III 83.39% 87.45%
CHEMBL2243 O00519 Anandamide amidohydrolase 82.52% 97.53%
CHEMBL5845 P23415 Glycine receptor subunit alpha-1 81.58% 90.71%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 81.39% 99.23%
CHEMBL213 P08588 Beta-1 adrenergic receptor 80.68% 95.56%
CHEMBL4040 P28482 MAP kinase ERK2 80.22% 83.82%

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 14837687
LOTUS LTS0075165
wikiData Q104981822