Summary

IMPPAT Phytochemical identifier: IMPHY012044

Phytochemical name: Oxotremorine

Synonymous chemical names:
oxotremorine

External chemical identifiers:
CID:4630, ChEMBL:CHEMBL7634, ChEBI:7851, ZINC:ZINC000001530795, FDASRS:5RY0UWH1JL, SureChEMBL:SCHEMBL2128

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Chemical structure information

SMILES:
O=C1CCCN1CC#CCN1CCCC1

InChI:
InChI=1S/C12H18N2O/c15-12-6-5-11-14(12)10-4-3-9-13-7-1-2-8-13/h1-2,5-11H2

InChIKey:
RSDOPYMFZBJHRL-UHFFFAOYSA-N

DeepSMILES:
O=CCCCN5CC#CCNCCCC5

Functional groups:
CC#CC, CC(=O)N(C)C, CN(C)C

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CCCN1CC#CCN1CCCC1

Scaffold Graph/Node level:
OC1CCCN1CCCCN1CCCC1

Scaffold Graph level:
CC1CCCC1CCCCC1CCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Pyrrolidines

ClassyFire Subclass: N-alkylpyrrolidines

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Ornithine alkaloids

NP Classifier Class: Pyrrolidine alkaloids

NP-Likeness score: -0.915

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Chemical structure download