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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@@ ...
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Standard InChI InChI=1S/C35H46O14/c1-7-19(2)17-20(3)13-14-25(37)47-28-27(38 ...
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Standard InChI Key DFKDOZMCHOGOBR-NNXRNCACSA-N

Structural Alerts

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

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

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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