Summary

IMPPAT Phytochemical identifier: IMPHY001755

Phytochemical name: Ephedroxane

Synonymous chemical names:
ephedroxane

External chemical identifiers:
CID:161171, ChEBI:81372, ZINC:ZINC000001672056, SureChEMBL:SCHEMBL1743559

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Chemical structure information

SMILES:
C[C@@H]1N(C)C(=O)O[C@@H]1c1ccccc1

InChI:
InChI=1S/C11H13NO2/c1-8-10(14-11(13)12(8)2)9-6-4-3-5-7-9/h3-8,10H,1-2H3/t8-,10-/m0/s1

InChIKey:
MNYARIILPGRTQL-WPRPVWTQSA-N

DeepSMILES:
C[C@@H]NC)C=O)O[C@@H]5cccccc6

Functional groups:
CN1CCOC1=O

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1NCC(c2ccccc2)O1

Scaffold Graph/Node level:
OC1NCC(C2CCCCC2)O1

Scaffold Graph level:
CC1CCC(C2CCCCC2)C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Azolidines

ClassyFire Subclass: Oxazolidines

NP Classifier Biosynthetic pathway: Alkaloids

NP-Likeness score: 1.032

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Chemical structure download