spongiacidin C

Details

• Internal ID: acc4e6cd-53ab-4e7b-9081-a354a6b4e34f
• Taxonomy: Organoheterocyclic compounds > Azolidines > Imidazolidines > Hydantoins
• IUPAC Name: (5Z)-5-(8-oxo-1,5,6,7-tetrahydropyrrolo[2,3-c]azepin-4-ylidene)imidazolidine-2,4-dione
• SMILES (Canonical): C1CNC(=O)C2=C(C1=C3C(=O)NC(=O)N3)C=CN2
• SMILES (Isomeric): C\1CNC(=O)C2=C(/C1=C\3/C(=O)NC(=O)N3)C=CN2
• InChI: InChI=1S/C11H10N4O3/c16-9-7-5(1-3-12-7)6(2-4-13-9)8-10(17)15-11(18)14-8/h1,3,12H,2,4H2,(H,13,16)(H2,14,15,17,18)/b8-6-
• InChI Key: MOYLWFAZPQYOGQ-VURMDHGXSA-N
• Popularity: 3 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₁H₁₀N₄O₃
• Molecular Weight: 246.22 g/mol
• Exact Mass: 246.07529019 g/mol
• Topological Polar Surface Area (TPSA): 103.00 Ų
• XlogP: -0.90

Synonyms

• 193202-57-2
• (Z)-5-(8-Oxo-5,6,7,8-tetrahydropyrrolo[2,3-c]azepin-4(1H)-ylidene)imidazolidine-2,4-dione
• CHEMBL448126
• SCHEMBL22480163
• BDBM50436152
• (5Z)-5-(8-oxo-1,5,6,7-tetrahydropyrrolo[2,3-c]azepin-4-ylidene)imidazolidine-2,4-dione

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
CHEMBL2581	P07339	Cathepsin D	94.02%	98.95%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	92.60%	91.11%
CHEMBL262	P49841	Glycogen synthase kinase-3 beta	92.14%	95.72%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	87.96%	95.56%
CHEMBL2345	P51812	Ribosomal protein S6 kinase alpha 3	87.36%	95.64%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	86.83%	96.09%
CHEMBL4208	P20618	Proteasome component C5	86.54%	90.00%
CHEMBL255	P29275	Adenosine A2b receptor	86.13%	98.59%
CHEMBL299	P17252	Protein kinase C alpha	85.40%	98.03%
CHEMBL2996	Q05655	Protein kinase C delta	84.03%	97.79%
CHEMBL3137262	O60341	LSD1/CoREST complex	83.19%	97.09%
CHEMBL2850	P49840	Glycogen synthase kinase-3 alpha	83.04%	88.84%
CHEMBL3351	Q13085	Acetyl-CoA carboxylase 1	82.36%	93.04%
CHEMBL3038469	P24941	CDK2/Cyclin A	82.29%	91.38%
CHEMBL1937	Q92769	Histone deacetylase 2	81.69%	94.75%
CHEMBL1907600	Q00535	Cyclin-dependent kinase 5/CDK5 activator 1	81.64%	93.03%
CHEMBL3192	Q9BY41	Histone deacetylase 8	81.21%	93.99%
CHEMBL221	P23219	Cyclooxygenase-1	80.79%	90.17%
CHEMBL3476	O15111	Inhibitor of nuclear factor kappa B kinase alpha subunit	80.77%	95.83%
CHEMBL1907605	P24864	Cyclin-dependent kinase 2/cyclin E1	80.72%	92.88%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 10634145
• LOTUS: LTS0128476
• wikiData: Q105169263