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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL282731
CHEMBL282731
Compound Name CICHORIC ACID
ChEMBL Synonyms cichoric acid | L-chicoric acid
Max Phase 0
Trade Names
Molecular Formula C22H18O12

Additional synonyms for CHEMBL282731 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES OC(=O)[C@H](OC(=O)\C=C\c1ccc(O)c(O)c1)[C@@H](OC(=O)\C=C\c2cc ...
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Standard InChI InChI=1S/C22H18O12/c23-13-5-1-11(9-15(13)25)3-7-17(27)33-19( ...
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Standard InChI Key YDDGKXBLOXEEMN-IABMMNSOSA-N

Structural Alerts

There are 11 structural alerts for CHEMBL282731. To view alerts please click here.

Alternate Forms of Compound in ChEMBL


CHEMBL282731

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
474.4 474.0798 2.39 11 208.11 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
12 6 2 12 6 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
1.43 - 3.09 -1.68 2 34 0.16

Compound Cross References

ChemSpider ChemSpider:YDDGKXBLOXEEMN-IABMMNSOSA-N
PubChem SID: 144208253 SID: 17389106
Wikipedia Cichoric_acid

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL282731



ACToR 70831-56-0 6537-80-0
BindinDB 50076273
FDA SRS S4YY3V8YHD
KEGG Ligand C10437
Nikkaji J431.736J J749.364I
PubChem 5281764
PubChem: Thomson Pharma 14809758
SureChEMBL SCHEMBL964775

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