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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL276139
CHEMBL276139
Compound Name
ChEMBL Synonyms 2,4-Diacetyl Phloroglucinol
Max Phase 0
Trade Names
Molecular Formula C10H10O5

Additional synonyms for CHEMBL276139 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(=O)c1c(O)cc(O)c(C(=O)C)c1O
Standard InChI InChI=1S/C10H10O5/c1-4(11)8-6(13)3-7(14)9(5(2)12)10(8)15/h3, ...
Download InChI
Standard InChI Key PIFFQYJYNWXNGE-UHFFFAOYSA-N

Alternate Forms of Compound in ChEMBL


CHEMBL276139

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
210.2 210.0528 0.58 2 94.83 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 3 0 5 3 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
7.67 - 3.2 3.01 1 15 0.62

Structural Alerts

There are 3 structural alerts for CHEMBL276139. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:PIFFQYJYNWXNGE-UHFFFAOYSA-N
PubChem SID: 26657918
Wikipedia 2,4-Diacetylphloroglucinol

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL276139



ACToR 2161-86-6
ChEBI 78688
eMolecules 726456
EPA CompTox Dashboard DTXSID10175995
FDA SRS 8XV4YYO3WN
IBM Patent System C4BF8E099992B11BBAF25F10DC83F1C1
Mcule MCULE-1191277954
MolPort MolPort-001-739-531
Nikkaji J80.411H
PubChem 16547
PubChem: Thomson Pharma 15067910
SureChEMBL SCHEMBL1258932
ZINC ZINC00157843

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