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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL133266
CHEMBL133266
Compound Name BILOBALIDE
ChEMBL Synonyms Bilobalide
Max Phase 0
Trade Names
Molecular Formula C15H18O8

Additional synonyms for CHEMBL133266 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(C)(C)[C@]1(O)CC2OC(=O)CC23C(=O)OC4OC(=O)[C@H](O)C134
Standard InChI InChI=1S/C15H18O8/c1-12(2,3)14(20)4-6-13(5-7(16)21-6)10(19)2 ...
Download InChI
Standard InChI Key MOLPUWBMSBJXER-YKFMWRJQSA-N

Alternate Forms of Compound in ChEMBL


CHEMBL133266

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
326.3 326.1002 -0.64 1 119.36 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
8 2 0 8 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
11.74 - 4.46 4.46 0 23 0.61

Structural Alerts

There are 2 structural alerts for CHEMBL133266. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:MOLPUWBMSBJXER-YKFMWRJQSA-N
Wikipedia Bilobalide

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL133266



BindingDB 50118199
IBM Patent System 2FEDD4F8AB3EA4DFC7AAF872FC1087F8
PubChem 44353155
SureChEMBL SCHEMBL13960090

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