Summary

IMPPAT Phytochemical identifier: IMPHY011680

Phytochemical name: Ephedrine

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

External chemical identifiers:
CID:9294, ChEMBL:CHEMBL211456, 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

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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