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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL40991
CHEMBL40991
Compound Name ZARAGOZIC ACID A
ChEMBL Synonyms L-694599
Max Phase 0
Trade Names
Molecular Formula C35H46O14

Additional synonyms for CHEMBL40991 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC[C@H](C)C[C@H](C)\C=C\C(=O)O[C@@H]1[C@@H](O)C2(CCC(=C)[C@@ ...
Download SMILES
Standard InChI InChI=1S/C35H46O14/c1-7-19(2)17-20(3)13-14-25(37)47-28-27(38 ...
Download InChI
Standard InChI Key DFKDOZMCHOGOBR-NNXRNCACSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL40991

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
690.7 690.2888 4.34 19 223.41 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
14 5 2 14 5 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
1.47 - 10.6 4.85 1 49 0.08

Structural Alerts

There are 13 structural alerts for CHEMBL40991. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:DFKDOZMCHOGOBR-NNXRNCACSA-N
Wikipedia Zaragozic_acid

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL40991



BindingDB 50038096
PubChem 44287785

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