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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

Structural Alerts

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

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

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
DSSTox DTXSID10175995
eMolecules 726456
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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