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Esculin

CHEBI:CHEBI_4853

Definition

A hydroxycoumarin that is the 6-O-beta-D-glucoside of esculetin.

Chemical Information

Molecular Formula
C15H16O9
Molecular Mass
340.28210
Charge
0
SMILES
OC[C@H]1O[C@@H](Oc2cc3ccc(=O)oc3cc2O)[C@H](O)[C@@H](O)[C@@H]1O
InChI
InChI=1S/C15H16O9/c16-5-10-12(19)13(20)14(21)15(24-10)23-9-3-6-1-2-11(18)22-8(6)4-7(9)17/h1-4,10,12-17,19-21H,5H2/t10-,12-,13+,14-,15-/m1/s1
InChIKey
XHCADAYNFIFUHF-TVKJYDDYSA-N

Alternative Names

  • 6-(beta-D-Glucopyranosyloxy)-7-hydroxy-2H-1-benzopyran-2-one
  • 6-(beta-D-Glucopyranosyloxy)-7-hydroxy-cumarin
  • 6,7-Dihydroxycoumarin 6-glucoside
  • 6,7-Dihydroxycoumarin-6-O-glucoside
  • 7-hydroxy-2-oxo-2H-chromen-6-yl beta-D-glucopyranoside
  • 7-Hydroxy-6-glucosyloxy-2H-chromene
  • Aesculin
  • esculetin 6-beta-D-glucoside
  • Esculetin 6-O-glucoside
  • Esculin
  • Esculoside

Drug Classification

Important Medical Information

⚕️ This information is sourced from ChEBI (Chemical Entities of Biological Interest) database and is intended for educational purposes only.

  • Always consult with a healthcare professional before starting, stopping, or modifying any medication.
  • Side effects may vary and this list may not be comprehensive.
  • Drug interactions may occur with other medications.

Additional Identifiers

DRON_00010000
1314351
oboInOwl#hasDbXref
Wikipedia:Aesculin
core#notation
CHEBI:4853

Additional References

Wikipedia:Aesculin

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Additional Attributes

oboInOwl#hasOBONamespace
chebi_ontology
DRON_00010000
1314351
oboInOwl#hasDbXref
Wikipedia:Aesculin
oboInOwl#id
CHEBI:4853
core#notation
CHEBI:4853
oboInOwl#inSubset
http://purl.obolibrary.org/obo/chebi#3_STAR
RO_0000087
http://purl.obolibrary.org/obo/CHEBI_25212
chebi#has_functional_parent
http://purl.obolibrary.org/obo/CHEBI_490095
22-rdf-syntax-ns#type
http://www.w3.org/2002/07/owl#Class
rdf-schema#domain
https://w3id.org/def/predibionto#has_side_effect26024
owl#annotatedSource
t231822
owl#someValuesFrom
t1404961