Summary

IMPPAT Phytochemical identifier: IMPHY014066

Phytochemical name: Koumine N-oxide

Synonymous chemical names:
koumine n-oxide

External chemical identifiers:
CID:5318847

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Chemical structure information

SMILES:
C=CC12C[N+]([O-])(C)C3C4C1CC(C1=Nc5c(C21C3)cccc5)OC4

InChI:
InChI=1S/C20H22N2O2/c1-3-19-11-22(2,23)16-9-20(19)13-6-4-5-7-15(13)21-18(20)17-8-14(19)12(16)10-24-17/h3-7,12,14,16-17H,1,8-11H2,2H3

InChIKey:
OISZCFMVBRTVHR-UHFFFAOYSA-N

DeepSMILES:
C=CCC[N+][O-])C)CCC6CCC=NccC%135C%11))cccc6))))))))OC6

Functional groups:
C=CC, COC, C[N+](C)(C)[O-], cN=C(C)C

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc2c(c1)N=C1C3CC4C(CO3)C3CC12C4C[NH2+]3

Scaffold Graph/Node level:
C1CCC2C(C1)NC1C3CC4C(CO3)C3CC21C4CN3

Scaffold Graph level:
C1CCC2C(C1)CC1C3CCC4C5CCC(C4C3)C21C5

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Indoles and derivatives

ClassyFire Subclass: Indoles

NP Classifier Biosynthetic pathway: Alkaloids

NP-Likeness score: 2.63

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Chemical structure download