Summary

IMPPAT Phytochemical identifier: IMPHY000577

Phytochemical name: Ricinine

Synonymous chemical names:
ricinine

External chemical identifiers:
CID:10666, ChEMBL:CHEMBL1329957, ChEBI:18043, ZINC:ZINC000000113473, FDASRS:130UFS7AE0, SureChEMBL:SCHEMBL257955, MolPort-001-740-897

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Chemical structure information

SMILES:
N#Cc1c(OC)ccn(c1=O)C

InChI:
InChI=1S/C8H8N2O2/c1-10-4-3-7(12-2)6(5-9)8(10)11/h3-4H,1-2H3

InChIKey:
PETSAYFQSGAEQY-UHFFFAOYSA-N

DeepSMILES:
N#CccOC))ccnc6=O))C

Functional groups:
c=O, cC#N, cOC, cn(c)C

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1cccc[nH]1

Scaffold Graph/Node level:
OC1CCCCN1

Scaffold Graph level:
CC1CCCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Pyridines and derivatives

ClassyFire Subclass: 3-pyridinecarbonitriles

NP Classifier Biosynthetic pathway: Amino acids and Peptides, Shikimates and Phenylpropanoids

NP Classifier Superclass: Small peptides

NP Classifier Class: Aminoacids

NP-Likeness score: -0.422

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Chemical structure download