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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1446743
CHEMBL1446743
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C29H34O6

Additional synonyms for CHEMBL1446743 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCO[C@H]1O[C@@H]([C@H](COCc2ccccc2)OCc3ccccc3)[C@@H](OCc4ccc ...
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Standard InChI InChI=1S/C29H34O6/c1-2-32-29-26(30)28(34-20-24-16-10-5-11-17 ...
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Standard InChI Key ULLNJSBQMBKOJH-YFXPIYGVSA-N

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL1446743

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
478.6 478.2355 4.5 13 66.38 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 1 0 6 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
13.01 - 4.12 4.12 3 35 0.39

Structural Alerts

There are 1 structural alerts for CHEMBL1446743. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:ULLNJSBQMBKOJH-YFXPIYGVSA-N
PubChem SID: 11112598
Wikipedia Tribenoside

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1446743



PubChem 6604335
ZINC ZINC000008035306

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