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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL590784
CHEMBL590784
Compound Name APIGENIDIN
ChEMBL Synonyms Apigenidin
Max Phase 0
Trade Names
Molecular Formula C15H11ClO4

Additional synonyms for CHEMBL590784 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES [Cl-].Oc1ccc(cc1)c2ccc3c(O)cc(O)cc3[o+]2
Standard InChI InChI=1S/C15H10O4.ClH/c16-10-3-1-9(2-4-10)14-6-5-12-13(18)7- ...
Download InChI
Standard InChI Key GYQDOAKHUGURPD-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL590784

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
255.3 255.0657 3.52 1 71.99 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 3 0 4 3 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
10.01 - - - 3 19 0.58

Structural Alerts

There are 4 structural alerts for CHEMBL590784. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:GYQDOAKHUGURPD-UHFFFAOYSA-N
Wikipedia Apigeninidin

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL590784



ACToR 1151-98-0
eMolecules 528200
FDA SRS CWI2JJB0W1
MolPort MolPort-003-938-492
PubChem 159360
PubChem: Thomson Pharma 14869503
SureChEMBL SCHEMBL1366891

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