Kenalactam C

Details

• Internal ID: 2178eeb2-0948-4aec-a914-a34c5668e4b0
• Taxonomy: Organic acids and derivatives > Carboximidic acids and derivatives > Carboximidic acids > Cyclic carboximidic acids
• IUPAC Name: (3E,5E,7E,9Z,11Z,13S,17E,19E,21E,23Z,25Z,27S)-3,13,17,27-tetramethyl-1,15-diazacyclooctacosa-3,5,7,9,11,17,19,21,23,25-decaene-2,16-dione
• InChI: InChI=1S/C30H38N2O2/c1-25-19-15-11-7-5-9-13-18-22-28(4)30(34)32-24-26(2)20-16-12-8-6-10-14-17-21-27(3)29(33)31-23-25/h5-22,25-26H,23-24H2,1-4H3,(H,31,33)(H,32,34)/b9-5+,10-6+,11-7-,12-8-,17-14+,18-13+,19-15-,20-16-,27-21+,28-22+/t25-,26-/m0/s1
• InChI Key: AOPCXXMLGSMDPM-JMDRAFGOSA-N
• Popularity: 2 references in papers

Physical and Chemical Properties

• Molecular Formula: C₃₀H₃₈N₂O₂
• Molecular Weight: 458.60 g/mol
• Exact Mass: 458.293328459 g/mol
• Topological Polar Surface Area (TPSA): 58.20 Ų
• XlogP: 7.90

Synonyms

• CHEMBL4524185

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
CHEMBL253	P34972	Cannabinoid CB2 receptor	93.76%	97.25%
CHEMBL2581	P07339	Cathepsin D	90.80%	98.95%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	89.14%	95.56%
CHEMBL1937	Q92769	Histone deacetylase 2	86.97%	94.75%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	84.59%	96.09%
CHEMBL3137262	O60341	LSD1/CoREST complex	83.57%	97.09%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	83.10%	99.23%
CHEMBL4481	P35228	Nitric oxide synthase, inducible	81.68%	94.80%
CHEMBL5103	Q969S8	Histone deacetylase 10	80.73%	90.08%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	80.00%	91.11%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 145720934
• LOTUS: LTS0112697
• wikiData: Q104915852