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ChEMBL Statistics
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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

Structural Alerts

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

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
- 6.63 2.57 2.5 3 19 0.58

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
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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