Summary

IMPPAT Phytochemical identifier: IMPHY006239

Phytochemical name: Fluorocarpamine-N-oxide

Synonymous chemical names:
fluorocarpamine n-oxide, fluorocarpamine-n-oxide

External chemical identifiers:
CID:6442964

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Chemical structure information

SMILES:
COC(=O)C1C2CC3C4(N1c1ccccc1C4=O)CC[N+]3(C/C/2=CC)[O-]

InChI:
InChI=1S/C20H22N2O4/c1-3-12-11-22(25)9-8-20-16(22)10-14(12)17(19(24)26-2)21(20)15-7-5-4-6-13(15)18(20)23/h3-7,14,16-17H,8-11H2,1-2H3/b12-3+

InChIKey:
IARXKEXPNHDQQC-KGVSQERTSA-N

DeepSMILES:
COC=O)CCCCCN6cccccc6C9=O)))))))))CC[N+]5C/C/9=CC))))[O-]

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1C[NH+]2CCC34C(=O)c5ccccc5N3CC1CC24

Scaffold Graph/Node level:
CC1CN2CCC34C(O)C5CCCCC5N3CC1CC24

Scaffold Graph level:
CC1CC2CCC34C(C)C5CCCCC5C3CC1CC24

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic acids and derivatives

ClassyFire Class: Carboxylic acids and derivatives

ClassyFire Subclass: Amino acids, peptides, and analogues

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Tryptophan alkaloids

NP Classifier Class: Corynanthe type

NP-Likeness score: 1.514

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Chemical structure download