Summary

IMPPAT Phytochemical identifier: IMPHY007337

Phytochemical name: Salsolinol

Synonymous chemical names:
(-)-salsolinol, salsolinol

External chemical identifiers:
CID:91588, ChEMBL:CHEMBL1195032, ChEBI:113, ZINC:ZINC000004027288, FDASRS:9ILS801M65, SureChEMBL:SCHEMBL7938058, MolPort-002-511-865

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Chemical structure information

SMILES:
C[C@@H]1NCCc2c1cc(O)c(c2)O

InChI:
InChI=1S/C10H13NO2/c1-6-8-5-10(13)9(12)4-7(8)2-3-11-6/h4-6,11-13H,2-3H2,1H3/t6-/m0/s1

InChIKey:
IBRKLUSXDYATLG-LURJTMIESA-N

DeepSMILES:
C[C@@H]NCCcc6ccO)cc6)O

Functional groups:
CNC, cO

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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: 1.747

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Chemical structure download