Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID001679

Phytochemical name: Salsoline

Synonymous chemical names:
Salsoline, salsoline

External chemical identifiers:
CID:CID_46695, ChEMBL:CHEMBL1532461, ChEBI:CHEBI:110170, SureChEMBL:SCHEMBL1009940, MolPort-000-160-611

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Chemical structure information

SMILES:
COc1cc2C(C)NCCc2cc1O

InChI:
InChI=1S/C11H15NO2/c1-7-9-6-11(14-2)10(13)5-8(9)3-4-12-7/h5-7,12-13H,3-4H2,1-2H3

InChIKey:
YTPRLBGPGZHUPD-UHFFFAOYSA-N

DeepSMILES:
COcccCC)NCCc6cc%10O

Functional groups:
cOC, cO, CNC

Link to spectral information:
MSBNK-Washington_State_Univ-BML82135, MSBNK-Washington_State_Univ-BML82137

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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: 1.662

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Chemical structure download