Summary

IMPPAT Phytochemical identifier: IMPHY000370

Phytochemical name: (7abeta)-N-Acetyl-N-methyl-2alpha,7alpha-epoxyhexahydro-1H-pyrrolizine-1beta-amine

Synonymous chemical names:
n-acetylloline

External chemical identifiers:
CID:100985848

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Chemical structure information

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

InChI:
InChI=1S/C10H16N2O2/c1-6(13)11(2)9-8-5-12-4-3-7(14-8)10(9)12/h7-10H,3-5H2,1-2H3/t7-,8?,9+,10-/m1/s1

InChIKey:
YIZSKLHCDNIMHK-JOUUOIQHSA-N

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

Functional groups:
CC(=O)N(C)C, 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: 0.811

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Chemical structure download