Summary

IMPPAT Phytochemical identifier: IMPHY006785

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

Synonymous chemical names:
loline

External chemical identifiers:
CID:101967077

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Chemical structure information

SMILES:
CN[C@H]1[C@H]2CN3[C@@H]1[C@H](O2)CC3

InChI:
InChI=1S/C8H14N2O/c1-9-7-6-4-10-3-2-5(11-6)8(7)10/h5-9H,2-4H2,1H3/t5-,6?,7+,8-/m1/s1

InChIKey:
OPMNROCQHKJDAQ-SNYGBICDSA-N

DeepSMILES:
CN[C@H][C@H]CN[C@@H]5[C@H]O6)CC5

Functional groups:
CN(C)C, CNC, 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: 1.471

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Chemical structure download