Summary

IMPPAT Phytochemical identifier: IMPHY005864

Phytochemical name: Europine N-oxide

Synonymous chemical names:
europine-n-oxide

External chemical identifiers:
CID:5484389, ChEMBL:CHEMBL464325, ZINC:ZINC000006030281

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Chemical structure information

SMILES:
CO[C@H]([C@@](C(O)(C)C)(C(=O)OCC1=CC[N+]2([C@H]1[C@@H](O)CC2)[O-])O)C

InChI:
InChI=1S/C16H27NO7/c1-10(23-4)16(21,15(2,3)20)14(19)24-9-11-5-7-17(22)8-6-12(18)13(11)17/h5,10,12-13,18,20-21H,6-9H2,1-4H3/t10-,12-,13+,16-,17?/m0/s1

InChIKey:
UPYLKTQCLCBJQP-QMIVUERCSA-N

DeepSMILES:
CO[C@H][C@@]CO)C)C))C=O)OCC=CC[N+][C@H]5[C@@H]O)CC5))))[O-]))))))))O))C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CC2CCC[NH+]2C1

Scaffold Graph/Node level:
C1CC2CCCN2C1

Scaffold Graph level:
C1CC2CCCC2C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Alkaloids and derivatives

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Ornithine alkaloids

NP Classifier Class: Pyrrolizidine alkaloids

NP-Likeness score: 2.307

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Chemical structure download