Summary

IMPPAT Phytochemical identifier: IMPHY001035

Phytochemical name: Acanthicifoline

Synonymous chemical names:
1-methyl-1,2,3,4-tetrahydro-5-methoxy-2,7-naphthyridin-3-one (acanthicifoline), acanthicifoline

External chemical identifiers:
CID:442503, ChEBI:2374

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Chemical structure information

SMILES:
COc1cncc2c1CC(=O)NC2C

InChI:
InChI=1S/C10H12N2O2/c1-6-8-4-11-5-9(14-2)7(8)3-10(13)12-6/h4-6H,3H2,1-2H3,(H,12,13)

InChIKey:
JSJALGZAHYXCKU-UHFFFAOYSA-N

DeepSMILES:
COccnccc6CC=O)NC6C

Functional groups:
CNC(C)=O, cOC, cnc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1Cc2ccncc2CN1

Scaffold Graph/Node level:
OC1CC2CCNCC2CN1

Scaffold Graph level:
CC1CCC2CCCCC2C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Diazanaphthalenes

ClassyFire Subclass: Naphthyridines

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Nicotinic acid alkaloids

NP Classifier Class: Pyridine alkaloids

NP-Likeness score: 0.873

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Chemical structure download