Summary

IMPPAT Phytochemical identifier: IMPHY013950

Phytochemical name: Methoxyeglandine N-oxide

Synonymous chemical names:
10-methoxyeglandine n-oxide, 10-methoxyeglandine-n-oxide

External chemical identifiers:
CID:432337

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Chemical structure information

SMILES:
CCC1CC2CC3(C1[N+]1(C2OC(C1)c1c3[nH]c2c1cc(cc2)OC)[O-])C(=O)OC

InChI:
InChI=1S/C22H26N2O5/c1-4-11-7-12-9-22(21(25)28-3)18-17(14-8-13(27-2)5-6-15(14)23-18)16-10-24(26,19(11)22)20(12)29-16/h5-6,8,11-12,16,19-20,23H,4,7,9-10H2,1-3H3

InChIKey:
FTRDJKNSAZYQLO-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCC6[N+]C6OCC5)cc8[nH]cc5cccc6))OC))))))))))))[O-])))C=O)OC

Functional groups:
CC1OCC[N+]1(C)[O-], COC(C)=O, cOC, c[nH]c

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc2c3c([nH]c2c1)C1CC2CCC1[NH+]1CC3OC21

Scaffold Graph/Node level:
C1CCC2C(C1)NC1C3CC4CCC3N3CC(OC43)C21

Scaffold Graph level:
C1CCC2C(C1)CC1C3CC4CCC3C3CC(CC43)C21

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Alkaloids and derivatives

ClassyFire Class: Ibogan-type alkaloids

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Tryptophan alkaloids

NP Classifier Class: Iboga type

NP-Likeness score: 1.122

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Chemical structure download