Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID001797

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

Synonymous chemical names:
Salsolidine, salsolidine

External chemical identifiers:
CID:CID_10302, ChEMBL:CHEMBL320193, ChEBI:CHEBI:94438, SureChEMBL:SCHEMBL177753, MolPort-000-141-653

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Chemical structure information

SMILES:
COc1cc2C(C)NCCc2cc1OC

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

InChIKey:
HMYJLVDKPJHJCF-UHFFFAOYSA-N

DeepSMILES:
COcccCC)NCCc6cc%10OC

Functional groups:
cOC, CNC

Link to spectral information:
MSBNK-ACES_SU-AS000553, MSBNK-Washington_State_Univ-BML82130, MSBNK-Washington_State_Univ-BML82132

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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: Isoquinoline alkaloids, Tetrahydroisoquinoline alkaloids

NP-Likeness score: 1.083

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Chemical structure download