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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1081584
CHEMBL1081584
Compound Name LOGANIN
ChEMBL Synonyms Loganin
Max Phase 0
Trade Names
Molecular Formula C17H26O10

Additional synonyms for CHEMBL1081584 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/C17H26O10/c1-6-9(19)3-7-8(15(23)24-2)5-25-16(11(6)7 ...
Download InChI
Standard InChI Key AMBQHHVBBHTQBF-UOUCRYGSSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1081584

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
390.4 390.1526 -2.15 4 155.14 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
10 5 0 10 5 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
12.8 - -1.99 -1.99 0 27 0.34

Structural Alerts

There are 3 structural alerts for CHEMBL1081584. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:AMBQHHVBBHTQBF-UOUCRYGSSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1081584



Brenda 8131
ChEBI 15771
eMolecules 36095329 28169021 31240093
FDA SRS H7WJ16Q93C
IBM Patent System E701B3E486408609BEDC322A5A42482A
KEGG Ligand C01433
LipidMaps LMPR0102070001
Mcule MCULE-5631723150
Metabolights MTBLC15771
MolPort MolPort-001-740-875
Nikkaji J13.561E
PubChem 87691
PubChem: Thomson Pharma 15929871 15401146
Rhea 15771
SureChEMBL SCHEMBL307017
ZINC ZINC000003978792

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