Summary

IMPPAT Phytochemical identifier: IMPHY002918

Phytochemical name: 6,7-Dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinoline

Synonymous chemical names:
o-methylcorypalline

External chemical identifiers:
CID:27694, ChEMBL:CHEMBL1196025, ZINC:ZINC000000391550, SureChEMBL:SCHEMBL5525085, MolPort-001-832-917

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Chemical structure information

SMILES:
COc1cc2CN(C)CCc2cc1OC

InChI:
InChI=1S/C12H17NO2/c1-13-5-4-9-6-11(14-2)12(15-3)7-10(9)8-13/h6-7H,4-5,8H2,1-3H3

InChIKey:
TXPPKWZEHFNZOE-UHFFFAOYSA-N

DeepSMILES:
COcccCNC)CCc6cc%10OC

Functional groups:
CN(C)C, cOC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc2c(c1)CCNC2

Scaffold Graph/Node level:
C1CCC2CNCCC2C1

Scaffold Graph level:
C1CCC2CCCCC2C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Tetrahydroisoquinolines

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Tyrosine alkaloids

NP Classifier Class: Amarylidaceae alkaloids

NP-Likeness score: -0.056

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Chemical structure download