Summary

IMPPAT Phytochemical identifier: IMPHY008713

Phytochemical name: Galanthamine N-Oxide

Synonymous chemical names:
galanthamine n-oxide

External chemical identifiers:
CID:11748698, ZINC:ZINC000015250761, FDASRS:S6AF61T5WO, SureChEMBL:SCHEMBL3299153

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Chemical structure information

SMILES:
COc1ccc2c3c1O[C@@H]1[C@]3(C=C[C@@H](C1)O)CC[N+](C2)([O-])C

InChI:
InChI=1S/C17H21NO4/c1-18(20)8-7-17-6-5-12(19)9-14(17)22-16-13(21-2)4-3-11(10-18)15(16)17/h3-6,12,14,19H,7-10H2,1-2H3/t12-,14-,17-,18?/m0/s1

InChIKey:
LROQBKNDGTWXET-FVWDGWMTSA-N

DeepSMILES:
COcccccc6O[C@@H][C@]5C=C[C@@H]C6)O))))CC[N+]C%10)[O-])C

Functional groups:
CC=CC, CO, C[N+](C)(C)[O-], cOC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CC23CC[NH2+]Cc4cccc(c42)OC3CC1

Scaffold Graph/Node level:
C1CC2CNCCC34CCCCC3OC(C1)C24

Scaffold Graph level:
C1CCC23CCCCC2CC2CCCC(C1)C23

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Alkaloids and derivatives

ClassyFire Class: Amaryllidaceae alkaloids

ClassyFire Subclass: Galanthamine-type amaryllidaceae alkaloids

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Tyrosine alkaloids

NP Classifier Class: Amarylidaceae alkaloids

NP-Likeness score: 2.414

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Chemical structure download