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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1911053
CHEMBL1911053
Compound Name OLEUROPEIN
ChEMBL Synonyms Oleuropein
Max Phase 0
Trade Names
Molecular Formula C25H32O13

Additional synonyms for CHEMBL1911053 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2 ...
Download SMILES
Standard InChI InChI=1S/C25H32O13/c1-3-13-14(9-19(29)35-7-6-12-4-5-16(27)17 ...
Download InChI
Standard InChI Key RFWGABANNQMHMZ-ZCHJGGQASA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1911053

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
540.5 540.1843 0.17 11 201.67 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
13 6 3 13 6 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
9.7 - -.87 -.87 1 38 0.13

Structural Alerts

There are 7 structural alerts for CHEMBL1911053. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:RFWGABANNQMHMZ-ZCHJGGQASA-N
Wikipedia Oleuropein

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1911053



Brenda 10260
eMolecules 25719475
FDA SRS 2O4553545L
Mcule MCULE-2462824991
MolPort MolPort-001-740-544
Nikkaji J420.869B J17.724E
PubChem 5281544
PubChem: Drugs of the Future 87550964
PubChem: Thomson Pharma 14861267 16896481
SureChEMBL SCHEMBL4306969
ZINC ZINC000004098348

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