Karnamicin C2

Details

• Internal ID: 1c22e27a-baf8-40c8-b298-d12cee60d660
• Taxonomy: Organoheterocyclic compounds > Pyridines and derivatives > Pyridinecarboxylic acids and derivatives > Pyridinecarboxamides
• IUPAC Name: 3-hydroxy-6-[2-(5-hydroxy-4-methylpentyl)-1,3-thiazol-4-yl]-4,5-dimethoxypyridine-2-carboxamide
• SMILES (Canonical): CC(CCCC1=NC(=CS1)C2=C(C(=C(C(=N2)C(=O)N)O)OC)OC)CO
• SMILES (Isomeric): CC(CCCC1=NC(=CS1)C2=C(C(=C(C(=N2)C(=O)N)O)OC)OC)CO
• InChI: InChI=1S/C17H23N3O5S/c1-9(7-21)5-4-6-11-19-10(8-26-11)12-15(24-2)16(25-3)14(22)13(20-12)17(18)23/h8-9,21-22H,4-7H2,1-3H3,(H2,18,23)
• InChI Key: WXKARMGCWFVAPW-UHFFFAOYSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₇H₂₃N₃O₅S
• Molecular Weight: 381.40 g/mol
• Exact Mass: 381.13584202 g/mol
• Topological Polar Surface Area (TPSA): 156.00 Ų
• XlogP: 2.00

Synonyms

• Karnamicin C2
• (-)-3-Hydroxy-6-[2-(5-hydroxy-4-methylpentyl)-4-thiazolyl]-4,5-dimethoxy-2-pyridinecarboxamide
• 3-hydroxy-6-[2-(5-hydroxy-4-methylpentyl)-1,3-thiazol-4-yl]-4,5-dimethoxypyridine-2-carboxamide

2D Structure

ADMET Properties (via admetSAR 2)

Target	Value	Probability (raw)	Probability (%)
No predicted properties yet!

Targets

Proven Targets:

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	98.41%	96.09%
CHEMBL3060	Q9Y345	Glycine transporter 2	93.20%	99.17%
CHEMBL2581	P07339	Cathepsin D	92.36%	98.95%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	91.90%	91.11%
CHEMBL1075094	Q16236	Nuclear factor erythroid 2-related factor 2	90.94%	96.00%
CHEMBL1293249	Q13887	Kruppel-like factor 5	90.51%	86.33%
CHEMBL3359	P21462	Formyl peptide receptor 1	89.91%	93.56%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	88.07%	94.00%
CHEMBL3091268	Q92753	Nuclear receptor ROR-beta	87.37%	95.50%
CHEMBL2885	P07451	Carbonic anhydrase III	87.28%	87.45%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	87.22%	99.23%
CHEMBL2243	O00519	Anandamide amidohydrolase	84.65%	97.53%
CHEMBL5845	P23415	Glycine receptor subunit alpha-1	84.01%	90.71%
CHEMBL290	Q13370	Phosphodiesterase 3B	83.30%	94.00%
CHEMBL1860	P10827	Thyroid hormone receptor alpha	82.86%	99.15%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	82.51%	94.45%
CHEMBL4105838	Q96GG9	DCN1-like protein 1	81.95%	95.00%
CHEMBL3286	P00749	Urokinase-type plasminogen activator	80.56%	97.88%

Plants that contains it

• Riccia fluitans

Cross-Links

• PubChem: 14837685
• LOTUS: LTS0117783
• wikiData: Q105129254