Summary

IMPPAT Phytochemical identifier: IMPHY002242

Phytochemical name: Cotarnoline

Synonymous chemical names:
cotarnoline

External chemical identifiers:
CID:101415049

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Chemical structure information

SMILES:
C[NH+]1CCC2=CC3=C(C(=O)C2=C1)OCO3

InChI:
InChI=1S/C11H11NO3/c1-12-3-2-7-4-9-11(15-6-14-9)10(13)8(7)5-12/h4-5H,2-3,6H2,1H3/p+1

InChIKey:
QDASDRHABTUVNM-UHFFFAOYSA-O

DeepSMILES:
C[NH+]CCC=CC=CC=O)C6=C%10)))OCO5

Functional groups:
C[NH+]1C=C2C(=O)C3=C(C=C2CC1)OCO3

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1C2=C[NH2+]CCC2=CC2=C1OCO2

Scaffold Graph/Node level:
OC1C2CNCCC2CC2OCOC21

Scaffold Graph level:
CC1C2CCCCC2CC2CCCC21

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Pyridines and derivatives

ClassyFire Subclass: Hydropyridines

NP Classifier Biosynthetic pathway: Alkaloids

NP-Likeness score: 0.934

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Chemical structure download