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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL444122
CHEMBL444122
Compound Name STEVIOSIDE
ChEMBL Synonyms Stevioside
Max Phase 0
Trade Names
Molecular Formula C38H60O18

Additional synonyms for CHEMBL444122 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C[C@@]12CCC[C@](C)([C@H]1CC[C@]34CC(=C)[C@](CC[C@@H]23)(C4)O ...
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Standard InChI InChI=1S/C38H60O18/c1-16-11-37-9-5-20-35(2,7-4-8-36(20,3)34( ...
Download InChI
Standard InChI Key UEDUENGHJMELGK-HYDKPPNVSA-N

Sources

  • Patent Bioactivity Data
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL444122

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
804.9 804.378 -1.73 10 294.97 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
18 11 3 18 11 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
12.52 - .64 .64 0 56 0.07

Structural Alerts

There are 8 structural alerts for CHEMBL444122. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:UEDUENGHJMELGK-HYDKPPNVSA-N
Wikipedia Steviol

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL444122



ACToR 57817-89-7
Brenda 16872
ChEBI 9271
eMolecules 26432155
EPA CompTox Dashboard DTXSID7021281
FDA SRS 0YON5MXJ9P
KEGG Ligand C09189
Mcule MCULE-7688904375
MolPort MolPort-002-532-754
Nikkaji J27.441K
PubChem 442089
PubChem: Drugs of the Future 12015455
PubChem: Thomson Pharma 16018837
SureChEMBL SCHEMBL33428
ZINC ZINC000245224268

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/UEDUENGHJMELGK-HYDKPPNVSA-N spacer
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