Summary

IMPPAT Phytochemical identifier: IMPHY000371

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

Synonymous chemical names:
n-formylloline

External chemical identifiers:
CID:100985849

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Chemical structure information

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

InChI:
InChI=1S/C9H14N2O2/c1-10(5-12)8-7-4-11-3-2-6(13-7)9(8)11/h5-9H,2-4H2,1H3/t6-,7?,8+,9-/m1/s1

InChIKey:
YHLKXYXFUCTURZ-PKDUTCDESA-N

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

Functional groups:
CN(C)C, CN(C)C=O, 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: 1.324

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Chemical structure download