Summary

IMPPAT Phytochemical identifier: IMPHY012229

Phytochemical name: Nortropine

Synonymous chemical names:
nortropine

External chemical identifiers:
CID:73480, ZINC:ZINC000001698748, SureChEMBL:SCHEMBL20310206, MolPort-046-033-478

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Chemical structure information

SMILES:
OC1C[C@@H]2CC[C@H](C1)N2

InChI:
InChI=1S/C7H13NO/c9-7-3-5-1-2-6(4-7)8-5/h5-9H,1-4H2/t5-,6+,7?

InChIKey:
YYMCYJLIYNNOMK-MEKDEQNOSA-N

DeepSMILES:
OCC[C@@H]CC[C@H]C7)N5

Functional groups:
CNC, CO

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CC2CCC(C1)N2

Scaffold Graph/Node level:
C1CC2CCC(C1)N2

Scaffold Graph level:
C1CC2CCC(C1)C2

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Alkaloids and derivatives

ClassyFire Class: Tropane alkaloids

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Ornithine alkaloids

NP Classifier Class: Tropane alkaloids

NP-Likeness score: 1.77

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Chemical structure download