Marinacarboline C

Details

• Internal ID: d4aa8ca7-6777-4011-bf8e-7f5aa20afbbc
• Taxonomy: Alkaloids and derivatives > Harmala alkaloids
• IUPAC Name: 1-acetyl-N-(2-phenylethyl)-9H-pyrido[3,4-b]indole-3-carboxamide
• InChI: InChI=1S/C22H19N3O2/c1-14(26)20-21-17(16-9-5-6-10-18(16)24-21)13-19(25-20)22(27)23-12-11-15-7-3-2-4-8-15/h2-10,13,24H,11-12H2,1H3,(H,23,27)
• InChI Key: QPUYCBSQXKSFOO-UHFFFAOYSA-N
• Popularity: 6 references in papers

Physical and Chemical Properties

• Molecular Formula: C₂₂H₁₉N₃O₂
• Molecular Weight: 357.40 g/mol
• Exact Mass: 357.147726857 g/mol
• Topological Polar Surface Area (TPSA): 74.90 Ų
• XlogP: 3.90

Synonyms

• CHEBI:69594
• 4'-Deshydroxy-Marinacarboline B
• CHEMBL1928402
• Q27137936
• 1-acetyl-N-phenethyl-9H-pyrido[3,4-b]indole-3-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	96.95%	96.09%
CHEMBL2581	P07339	Cathepsin D	96.81%	98.95%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	92.95%	91.11%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	92.52%	94.45%
CHEMBL255	P29275	Adenosine A2b receptor	92.22%	98.59%
CHEMBL262	P49841	Glycogen synthase kinase-3 beta	91.95%	95.72%
CHEMBL3401	O75469	Pregnane X receptor	91.25%	94.73%
CHEMBL1781	P11387	DNA topoisomerase I	90.44%	97.00%
CHEMBL3060	Q9Y345	Glycine transporter 2	89.25%	99.17%
CHEMBL1293294	P51151	Ras-related protein Rab-9A	86.07%	87.67%
CHEMBL2885	P07451	Carbonic anhydrase III	84.61%	87.45%
CHEMBL2535	P11166	Glucose transporter	83.38%	98.75%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	81.75%	85.14%
CHEMBL5028	O14672	ADAM10	81.04%	97.50%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	80.75%	99.23%
CHEMBL1293277	O15118	Niemann-Pick C1 protein	80.74%	81.11%
CHEMBL1293249	Q13887	Kruppel-like factor 5	80.71%	86.33%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 56601461
• LOTUS: LTS0065655
• wikiData: Q27137936