Summary

IMPPAT Phytochemical identifier: IMPHY012196

Phytochemical name: Swainsonine

Synonymous chemical names:
swainsonine

External chemical identifiers:
CID:51683, ChEMBL:CHEMBL371197, ChEBI:9367, ZINC:ZINC000003875041, FDASRS:RSY4RK37KQ, SureChEMBL:SCHEMBL765848, MolPort-003-850-377

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Chemical structure information

SMILES:
O[C@@H]1CN2[C@@H]([C@@H]1O)[C@H](O)CCC2

InChI:
InChI=1S/C8H15NO3/c10-5-2-1-3-9-4-6(11)8(12)7(5)9/h5-8,10-12H,1-4H2/t5-,6-,7-,8-/m1/s1

InChIKey:
FXUAIOOAOAVCGD-WCTZXXKLSA-N

DeepSMILES:
O[C@@H]CN[C@@H][C@@H]5O))[C@H]O)CCC6

Functional groups:
CN(C)C, CO

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CCN2CCCC2C1

Scaffold Graph/Node level:
C1CCN2CCCC2C1

Scaffold Graph level:
C1CCC2CCCC2C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Indolizidines

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Lysine alkaloids

NP Classifier Class: Indolizidine alkaloids

NP-Likeness score: 1.566

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Chemical structure download