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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL517697
CHEMBL517697
Compound Name ANISATIN
ChEMBL Synonyms Anisatin
Max Phase 0
Trade Names
Molecular Formula C15H20O8

Additional synonyms for CHEMBL517697 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C[C@@H]1C[C@@H](O)[C@@]2(O)[C@@]13C[C@@H](OC(=O)[C@H]3O)[C@] ...
Download SMILES
Standard InChI InChI=1S/C15H20O8/c1-6-3-7(16)15(21)13(6)4-8(23-10(18)9(13)1 ...
Download InChI
Standard InChI Key GEVWHIDSUOMVRI-FDXYETPJSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL517697

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
328.3 328.1158 -1.79 0 133.52 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
8 4 0 8 4 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
12.01 - -1.89 -1.89 0 23 0.38

Structural Alerts

There are 6 structural alerts for CHEMBL517697. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:GEVWHIDSUOMVRI-FDXYETPJSA-N
Wikipedia Anisatin

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL517697



PubChem 44575426
ZINC ZINC000040933353

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