(R)-Boschniakine

Details

• Internal ID: efb622e3-2cb6-4c73-bbc4-fdcd9318a27b
• Taxonomy: Organoheterocyclic compounds > Pyridines and derivatives > Pyridine carboxaldehydes
• IUPAC Name: 7-methyl-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbaldehyde
• SMILES (Canonical): CC1CCC2=C1C=NC=C2C=O
• SMILES (Isomeric): CC1CCC2=C1C=NC=C2C=O
• InChI: InChI=1S/C10H11NO/c1-7-2-3-9-8(6-12)4-11-5-10(7)9/h4-7H,2-3H2,1H3
• InChI Key: OPRAONAUWNNOOV-UHFFFAOYSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₀H₁₁NO
• Molecular Weight: 161.20 g/mol
• Exact Mass: 161.084063974 g/mol
• Topological Polar Surface Area (TPSA): 30.00 Ų
• XlogP: 1.50

Synonyms

• 7-methyl-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbaldehyde
• CHEBI:178222

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
CHEMBL1951	P21397	Monoamine oxidase A	92.64%	91.49%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	91.89%	96.09%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	89.38%	95.56%
CHEMBL5697	Q9GZT9	Egl nine homolog 1	88.55%	93.40%
CHEMBL1163101	O75460	Serine/threonine-protein kinase/endoribonuclease IRE1	86.00%	98.11%
CHEMBL1994	P08235	Mineralocorticoid receptor	82.37%	100.00%
CHEMBL2581	P07339	Cathepsin D	80.98%	98.95%
CHEMBL4803	P29474	Nitric-oxide synthase, endothelial	80.10%	86.00%

Plants that contains it

• Campsis grandiflora
• Incarvillea diffusa
• Incarvillea olgae
• Tecoma stans

Cross-Links

• PubChem: 3530565
• LOTUS: LTS0181175
• wikiData: Q105196525