Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID000935

Phytochemical name: Ephedrine

Synonymous chemical names:
ephedrine, ephedrine (-), l-ephedrine, (-)-ephedrine, Ephedrine,(-), ephedrine,(-), Ephedrine

External chemical identifiers:
CID:CID_9294, ChEMBL:CHEMBL211456, ChEBI:CHEBI:15407, ZINC:ZINC000000074836, FDASRS:GN83C131XS, SureChEMBL:SCHEMBL4785

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Chemical structure information

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

InChI:
InChI=1S/C10H15NO/c1-8(11-2)10(12)9-6-4-3-5-7-9/h3-8,10-12H,1-2H3/t8-,10-/m0/s1

InChIKey:
KWGRBVOPPLSCSI-WPRPVWTQSA-N

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

Functional groups:
CNC, CO

Link to spectral information:
MSBNK-Eawag-EA275809, MSBNK-Eawag-EA275813, MSBNK-Eawag-EA275812, MSBNK-Eawag-EA275814, MSBNK-Eawag-EA275810, MSBNK-Eawag-EA275808, MSBNK-Eawag-EA275811, MSBNK-Eawag-EA275806, MSBNK-Eawag-EA275805, MSBNK-Eawag-EA275804, MSBNK-Eawag-EA275803, MSBNK-Eawag-EA275802, MSBNK-Eawag-EA275801, MSBNK-Eawag-EA275807

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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: 0.43

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Chemical structure download