(6S)-2-ethyl-1,3-dimethyl-6,7-dihydroindolo[2,3-a]quinolizine-6-carboxylic acid

Details

• Internal ID: 53f97f78-7c3d-40b8-b0af-a8f3912d97ac
• Taxonomy: Organoheterocyclic compounds > Indoles and derivatives > Pyridoindoles > Beta carbolines
• IUPAC Name: (6S)-2-ethyl-1,3-dimethyl-6,7-dihydroindolo[2,3-a]quinolizine-6-carboxylic acid
• InChI: InChI=1S/C20H20N2O2/c1-4-13-11(2)10-22-17(20(23)24)9-15-14-7-5-6-8-16(14)21-18(15)19(22)12(13)3/h5-8,10,17H,4,9H2,1-3H3,(H,23,24)/t17-/m0/s1
• InChI Key: QBLWCDAQUPVYLI-KRWDZBQOSA-N
• Popularity: 2 references in papers

Physical and Chemical Properties

• Molecular Formula: C₂₀H₂₀N₂O₂
• Molecular Weight: 320.40 g/mol
• Exact Mass: 320.152477885 g/mol
• Topological Polar Surface Area (TPSA): 52.90 Ų
• XlogP: 2.00

Synonyms

There are no found synonyms.

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	96.31%	98.95%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	96.17%	96.09%
CHEMBL1293249	Q13887	Kruppel-like factor 5	90.96%	86.33%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	89.11%	95.56%
CHEMBL5028	O14672	ADAM10	82.79%	97.50%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	82.31%	99.23%

Plants that contains it

• Picrasma javanica

Cross-Links

• PubChem: 163188298
• LOTUS: LTS0132457
• wikiData: Q105217914