(S)-6,7-Dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinoline

Details

• Internal ID: 4f99701d-46ea-4914-92bd-0dfbb52f1d82
• Taxonomy: Organoheterocyclic compounds > Tetrahydroisoquinolines
• IUPAC Name: (1S)-6,7-dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinoline
• SMILES (Canonical): CC1C2=CC(=C(C=C2CCN1)OC)OC
• SMILES (Isomeric): C[C@H]1C2=CC(=C(C=C2CCN1)OC)OC
• InChI: InChI=1S/C12H17NO2/c1-8-10-7-12(15-3)11(14-2)6-9(10)4-5-13-8/h6-8,13H,4-5H2,1-3H3/t8-/m0/s1
• InChI Key: HMYJLVDKPJHJCF-QMMMGPOBSA-N
• Popularity: 37 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₂H₁₇NO₂
• Molecular Weight: 207.27 g/mol
• Exact Mass: 207.125928785 g/mol
• Topological Polar Surface Area (TPSA): 30.50 Ų
• XlogP: 1.70

Synonyms

• 493-48-1
• Salsolidin
• (-)-Salsolidine
• (S)-6,7-Dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinoline
• (S)-(-)-Salsolidine
• (1S)-6,7-dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinoline
• QMS4D62O1I
• Isoquinoline, 1,2,3,4-tetrahydro-6,7-dimethoxy-1-methyl-, (1S)-
• Isoquinoline, 1,2,3,4-tetrahydro-6,7-dimethoxy-1-methyl-, (S)-
• UNII-QMS4D62O1I
• SALSOLIDINE, (-)-
• SCHEMBL4250569
• CHEMBL1196026
• HMYJLVDKPJHJCF-QMMMGPOBSA-N
• DTXSID601318133
• TNP00026
• HY-22385B
• AKOS005391978
• NCGC00016619-01
• NCGC00017169-01
• CAS-2984-97-0
• CS-0255452
• Q27287343
• Isoquinoline,-6,7-dimethoxy-1-methyl-1,2,3,4-tetrahydro,
• (S)-6,7-dimethoxy-l-methyl-1,2,3,4-tetrahydroisoquinoline
• (R,S)-6,7-Dimethoxy-1-methyl-1,2,3,4-tetrahydro-isoquinoline

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	95.75%	96.09%
CHEMBL241	Q14432	Phosphodiesterase 3A	94.15%	92.94%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	90.71%	91.11%
CHEMBL3137262	O60341	LSD1/CoREST complex	88.89%	97.09%
CHEMBL3192	Q9BY41	Histone deacetylase 8	86.08%	93.99%
CHEMBL253	P34972	Cannabinoid CB2 receptor	85.95%	97.25%
CHEMBL1293249	Q13887	Kruppel-like factor 5	84.11%	86.33%
CHEMBL2535	P11166	Glucose transporter	82.42%	98.75%
CHEMBL5608	Q16288	NT-3 growth factor receptor	81.61%	95.89%
CHEMBL213	P08588	Beta-1 adrenergic receptor	80.35%	95.56%

Plants that contains it

• Alhagi maurorum

Cross-Links

• PubChem: 164752
• LOTUS: LTS0156606
• wikiData: Q27287343