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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL129795
CHEMBL129795
Compound Name ISOLIQUIRITIGENIN
ChEMBL Synonyms Isoliquiritigenin
Max Phase 0
Trade Names
Molecular Formula C15H12O4

Additional synonyms for CHEMBL129795 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Oc1ccc(\C=C\C(=O)c2ccc(O)cc2O)cc1
Standard InChI InChI=1S/C15H12O4/c16-11-4-1-10(2-5-11)3-8-14(18)13-7-6-12(1 ...
Download InChI
Standard InChI Key DXDRHHKMWQZJHT-FPYGCLRLSA-N

Structural Alerts

There are 7 structural alerts for CHEMBL129795. To view alerts please click here.

Alternate Forms of Compound in ChEMBL


CHEMBL129795

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
256.3 256.0736 2.98 3 77.76 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
7.5 - 2.75 2.38 2 19 0.58

Compound Cross References

ChemSpider ChemSpider:DXDRHHKMWQZJHT-FPYGCLRLSA-N
PubChem SID: 14728533 SID: 26747225 SID: 26752559 SID: 50105356 SID: 50105357 SID: 50105358 SID: 50105359 SID: 50105360 SID: 90340639 SID: 93576722
Wikipedia Isoliquiritigenin

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL129795



ACToR 13745-20-5 961-29-5
BindingDB 50042944
ChEBI 310312
DrugBank DB03285
eMolecules 539643
FDA SRS B9CTI9GB8F
Human Metabolome Database HMDB37316
KEGG Ligand C08650
LINCS LSM-43093
Mcule MCULE-1557671934
MolPort MolPort-001-741-660
Nikkaji J74.686J J120.923J
NMRShiftDB 10017704
PDBe HCC
PubChem 638278
PubChem: Drugs of the Future 12014182
PubChem: Thomson Pharma 15070065
Selleck Isoliquiritigenin
SureChEMBL SCHEMBL161168
ZINC ZINC03869608

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