Summary

IMPPAT Phytochemical identifier: IMPHY012112

Phytochemical name: Muscarine

Synonymous chemical names:
muscarine

External chemical identifiers:
CID:9308, ChEMBL:CHEMBL12587, ChEBI:7034, ZINC:ZINC000002516022, FDASRS:7T101UWZ5W, SureChEMBL:SCHEMBL79530

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Chemical structure information

SMILES:
O[C@@H]1C[C@H](O[C@H]1C)C[N+](C)(C)C

InChI:
InChI=1S/C9H20NO2/c1-7-9(11)5-8(12-7)6-10(2,3)4/h7-9,11H,5-6H2,1-4H3/q+1/t7-,8-,9+/m0/s1

InChIKey:
UQOFGTXDASPNLL-XHNCKOQMSA-N

DeepSMILES:
O[C@@H]C[C@H]O[C@H]5C)))C[N+]C)C)C

Functional groups:
CO, COC, C[N+](C)(C)C

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CCOC1

Scaffold Graph/Node level:
C1CCOC1

Scaffold Graph level:
C1CCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic oxygen compounds

ClassyFire Class: Organooxygen compounds

ClassyFire Subclass: Carbohydrates and carbohydrate conjugates

NP-Likeness score: 1.453

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Chemical structure download