Sesbanimide C

Details

• Internal ID: 5ccf3123-3145-46b5-989c-a43c1a304094
• Taxonomy: Organoheterocyclic compounds > Piperidines > Piperidinones > Piperidinediones
• IUPAC Name: 4-[2-hydroxy-3-(2-hydroxy-3-methyl-4-methylideneoxolan-2-yl)-3-methoxypropyl]piperidine-2,6-dione
• InChI: InChI=1S/C15H23NO6/c1-8-7-22-15(20,9(8)2)14(21-3)11(17)4-10-5-12(18)16-13(19)6-10/h9-11,14,17,20H,1,4-7H2,2-3H3,(H,16,18,19)
• InChI Key: VKQRRWLLTOYXGE-UHFFFAOYSA-N
• Popularity: 2 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₅H₂₃NO₆
• Molecular Weight: 313.35 g/mol
• Exact Mass: 313.15253745 g/mol
• Topological Polar Surface Area (TPSA): 105.00 Ų
• XlogP: -0.80

Synonyms

• NSC370347
• NSC-370347
• K444

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
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	96.85%	91.11%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	96.29%	96.09%
CHEMBL2581	P07339	Cathepsin D	96.20%	98.95%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	95.83%	94.45%
CHEMBL253	P34972	Cannabinoid CB2 receptor	95.63%	97.25%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	89.93%	85.14%
CHEMBL3137262	O60341	LSD1/CoREST complex	88.27%	97.09%
CHEMBL1293249	Q13887	Kruppel-like factor 5	85.39%	86.33%
CHEMBL1907605	P24864	Cyclin-dependent kinase 2/cyclin E1	85.21%	92.88%
CHEMBL213	P08588	Beta-1 adrenergic receptor	84.40%	95.56%
CHEMBL5103	Q969S8	Histone deacetylase 10	84.28%	90.08%
CHEMBL1994	P08235	Mineralocorticoid receptor	82.74%	100.00%
CHEMBL299	P17252	Protein kinase C alpha	82.68%	98.03%
CHEMBL255	P29275	Adenosine A2b receptor	82.04%	98.59%
CHEMBL1293267	Q9HC97	G-protein coupled receptor 35	80.74%	89.34%

Plants that contains it

• Sesbania drummondii

Cross-Links

• PubChem: 3931094
• LOTUS: LTS0224673
• wikiData: Q104199551