Summary

IMPPAT Phytochemical identifier: IMPHY002344

Phytochemical name: N-[(1R,3R,7S,8R)-2-oxa-6-azatricyclo[4.2.1.03,7]nonan-8-yl]acetamide

Synonymous chemical names:
n-acetylnorloline

External chemical identifiers:
CID:101613944

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Chemical structure information

SMILES:
CC(=O)N[C@H]1[C@H]2CN3[C@@H]1[C@H](O2)CC3

InChI:
InChI=1S/C9H14N2O2/c1-5(12)10-8-7-4-11-3-2-6(13-7)9(8)11/h6-9H,2-4H2,1H3,(H,10,12)/t6-,7?,8+,9-/m1/s1

InChIKey:
BWGXNGORZPWYGZ-PKDUTCDESA-N

DeepSMILES:
CC=O)N[C@H][C@H]CN[C@@H]5[C@H]O6)CC5

Functional groups:
CC(=O)NC, CN(C)C, COC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CN2CC3CC2C1O3

Scaffold Graph/Node level:
C1CN2CC3CC2C1O3

Scaffold Graph level:
C1CC2CC3CC1C2C3

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Alkaloids and derivatives

ClassyFire Class: Loline alkaloids and derivatives

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Ornithine alkaloids

NP Classifier Class: Pyrrolizidine alkaloids

NP-Likeness score: 0.822

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Chemical structure download