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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL393090
CHEMBL393090
Compound Name ECHINACOSIDE
ChEMBL Synonyms Echinacoside
Max Phase 0
Trade Names
Molecular Formula C35H46O20

Additional synonyms for CHEMBL393090 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C[C@H]1O[C@H](O[C@@H]2[C@@H](O)[C@H](OCCc3ccc(O)c(O)c3)O[C@H ...
Download SMILES
Standard InChI InChI=1S/C35H46O20/c1-14-24(42)26(44)29(47)35(51-14)55-32-30 ...
Download InChI
Standard InChI Key FSBUXLDOLNLABB-ZBMJVRRDSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL393090

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
786.7 786.2582 -1.26 14 324.44 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
20 12 3 20 12 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
9.31 - -2.32 -2.33 2 55 0.06

Structural Alerts

There are 10 structural alerts for CHEMBL393090. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:FSBUXLDOLNLABB-ZBMJVRRDSA-N
Wikipedia Echinacoside

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL393090



PubChem 44429857
ZINC ZINC000095613012

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