Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	52903
Common Name:	Acanthicifoline
Systematic Name:	5-methoxy-1-methyl-1,4-dihydro-2,7-naphthyridin-3(2H)-one
RefMet Name:	Acanthicifoline
Synonyms:	Acanthicifoline [PubChem Synonyms]
Exact Mass:	192.0899 (neutral)    Calculate m/z: (Choose adduct) [M+H]+ [M+H-H2O]+ [M.]+ [M+2H]2+ [M+3H]3+ [M+4H]4+ [M+K]+ [M+2K]2+ [M-H+2K]+ [M+Na]+ [M+2Na]2+ [M-H+2Na]+ [M+Li]+ [M+2Li]2+ [M+NH4]+ [M-H]- [M-2H]2- [M-3H]3- [M-4H]4- [M+Cl]- [M+OAc]- [M+HCOO]- M(neutral)
Formula:	C10H12N2O2
InChIKey:	JSJALGZAHYXCKU-UHFFFAOYSA-N
ClassyFire superclass:	Organoheterocyclic compounds [C0000002]
ClassyFire class:	Diazanaphthalenes [C0004788]
ClassyFire subclass:	Naphthyridines [C0001857]
ClassyFire direct parent:	Naphthyridines [C0001857]
SMILES:	CC1c2cncc(c2CC(=O)N1)OC
Studies:	Available studies (via RefMet name)

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All Database Links Calculated Properties Human Pathways

External database links:

PubChem CID:	442503
CHEBI ID:	2374
KEGG ID:	C09907
EPA CompTox DB:	DTXCID00964335
Plant Metabolite Hub(Pmhub):	MS000021125

References

LIPID MAPS classification: "Update of the LIPID MAPS comprehensive classification system for lipids", Fahy E, Subramaniam S, Murphy RC, Nishijima M, Raetz CR, Shimizu T, Spener F, van Meer G, Wakelam MJ, and Dennis EA, J. Lipid Res. (2009) 50: S9-S14. DOI: 10.1194/jlr.R800095-JLR200
ClassyFire classification: "ClassyFire: automated chemical classification with a comprehensive, computable taxonomy", Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS, J. Cheminformatics (2016) 8:61. DOI: 10.1186/s13321-016-0174-y