Summary

IMPPAT Phytochemical identifier: IMPHY010836

Phytochemical name: Fagomine

Synonymous chemical names:
fagomine

External chemical identifiers:
CID:72259, ChEMBL:CHEMBL108084, ChEBI:4969, ZINC:ZINC000004098580, FDASRS:1M10C1P4SM, SureChEMBL:SCHEMBL142574, MolPort-028-744-960

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Chemical structure information

SMILES:
OC[C@H]1NCC[C@H]([C@@H]1O)O

InChI:
InChI=1S/C6H13NO3/c8-3-4-6(10)5(9)1-2-7-4/h4-10H,1-3H2/t4-,5-,6-/m1/s1

InChIKey:
YZNNBIPIQWYLDM-HSUXUTPPSA-N

DeepSMILES:
OC[C@H]NCC[C@H][C@@H]6O))O

Functional groups:
CNC, CO

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CCNCC1

Scaffold Graph/Node level:
C1CCNCC1

Scaffold Graph level:
C1CCCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Piperidines

NP Classifier Biosynthetic pathway: Alkaloids, Carbohydrates

NP Classifier Superclass: Aminosugars and aminoglycosides

NP Classifier Class: Aminosugars

NP-Likeness score: 2.961

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Chemical structure download