6,7-Dimethoxy-2-methyl-3,4-dihydroisoquinolin-8-one

Details

• Internal ID: 437f0ab0-ad82-4afd-88f4-0bf5e445db0d
• Taxonomy: Organoheterocyclic compounds > Pyridines and derivatives > Hydropyridines > Tetrahydropyridines
• IUPAC Name: 6,7-dimethoxy-2-methyl-3,4-dihydroisoquinolin-8-one
• SMILES (Canonical): CN1CCC2=CC(=C(C(=O)C2=C1)OC)OC
• SMILES (Isomeric): CN1CCC2=CC(=C(C(=O)C2=C1)OC)OC
• InChI: InChI=1S/C12H15NO3/c1-13-5-4-8-6-10(15-2)12(16-3)11(14)9(8)7-13/h6-7H,4-5H2,1-3H3
• InChI Key: DIJKYVMQOZWMRX-UHFFFAOYSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₂H₁₅NO₃
• Molecular Weight: 221.25 g/mol
• Exact Mass: 221.10519334 g/mol
• Topological Polar Surface Area (TPSA): 38.80 Ų
• XlogP: 0.90

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	96.42%	98.95%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	95.53%	95.56%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	92.67%	85.14%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	91.51%	96.09%
CHEMBL1293249	Q13887	Kruppel-like factor 5	86.54%	86.33%
CHEMBL5697	Q9GZT9	Egl nine homolog 1	83.02%	93.40%
CHEMBL3192	Q9BY41	Histone deacetylase 8	82.72%	93.99%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	82.68%	94.00%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	80.30%	99.23%

Plants that contains it

• Lophophora williamsii

Cross-Links

• PubChem: 101417609
• LOTUS: LTS0128994
• wikiData: Q104981412