Summary

IMPPAT Phytochemical identifier: IMPHY014237

Phytochemical name: Formamide, N-[(1R,2S)-2-hydroxy-1-methyl-2-phenylethyl]-

Synonymous chemical names:
(-)n-formylnorephedrine

External chemical identifiers:
CID:12254997, SureChEMBL:SCHEMBL12806484

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Chemical structure information

SMILES:
O=CN[C@@H]([C@H](c1ccccc1)O)C

InChI:
InChI=1S/C10H13NO2/c1-8(11-7-12)10(13)9-5-3-2-4-6-9/h2-8,10,13H,1H3,(H,11,12)/t8-,10-/m1/s1

InChIKey:
QFNZWJWWABAZNV-PSASIEDQSA-N

DeepSMILES:
O=CN[C@@H][C@H]cccccc6))))))O))C

Functional groups:
CNC=O, CO

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccccc1

Scaffold Graph/Node level:
C1CCCCC1

Scaffold Graph level:
C1CCCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Benzenoids

ClassyFire Class: Benzene and substituted derivatives

ClassyFire Subclass: Phenylpropanes

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Pseudoalkaloids

NP Classifier Class: Phenylalanine-derived alkaloids

NP-Likeness score: 0.185

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Chemical structure download