Summary

IMPPAT Phytochemical identifier: IMPHY001282

Phytochemical name: 9-Methoxycanthin-6-one N-oxide

Synonymous chemical names:
1-methoxycanthin-6-one n(3)-oxide

External chemical identifiers:
CID:44593495, ChEMBL:CHEMBL462673, MolPort-039-339-007

---

Chemical structure information

SMILES:
COc1ccc2c(c1)n1c(=O)ccc3c1c2cc[n+]3[O-]

InChI:
InChI=1S/C15H10N2O3/c1-20-9-2-3-10-11-6-7-16(19)12-4-5-14(18)17(15(11)12)13(10)8-9/h2-8H,1H3

InChIKey:
IADUHWGVUSHTRQ-UHFFFAOYSA-N

DeepSMILES:
COcccccc6)nc=O)cccc6c9cc[n+]6[O-]

Functional groups:
c=O, cOC, c[n+](c)[O-], cn(c)c

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1ccc2[nH+]ccc3c4ccccc4n1c23

Scaffold Graph/Node level:
OC1CCC2NCCC3C4CCCCC4N1C23

Scaffold Graph level:
CC1CCC2CCCC3C4CCCCC4C1C23

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Alkaloids and derivatives

ClassyFire Class: Indolonaphthyridine alkaloids

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Tryptophan alkaloids

NP Classifier Class: Carboline alkaloids

NP-Likeness score: 0.585

---

Chemical structure download