Summary

IMPPAT Phytochemical identifier: IMPHY012409

Phytochemical name: Tropine nonanoate

Synonymous chemical names:
tropine nonanoate

External chemical identifiers:
CID:177828

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Chemical structure information

SMILES:
CCCCCCCCC(=O)OC1CC2CCC(C1)N2C

InChI:
InChI=1S/C17H31NO2/c1-3-4-5-6-7-8-9-17(19)20-16-12-14-10-11-15(13-16)18(14)2/h14-16H,3-13H2,1-2H3

InChIKey:
MBJFPEAKHWYASN-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCC=O)OCCCCCCC7)N5C

Functional groups:
CN(C)C, COC(C)=O

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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: 0.825

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Chemical structure download