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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL242022
CHEMBL242022
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C18H16O7

Additional synonyms for CHEMBL242022 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(=O)C1=C(O)C=C2Oc3c(C(=O)C)c(O)c(C)c(O)c3C2(C)C1=O
Standard InChI InChI=1S/C18H16O7/c1-6-14(22)12(8(3)20)16-13(15(6)23)18(4)10 ...
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Standard InChI Key WEYVVCKOOFYHRW-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL242022

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
344.3 344.0896 1.09 2 121.13 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
7 3 0 7 3 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
4.5 - 5.47 2.34 1 25 0.54

Structural Alerts

There are 5 structural alerts for CHEMBL242022. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:WEYVVCKOOFYHRW-UHFFFAOYSA-N
Wikipedia Usnic_acid

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL242022



ChEBI 38319
Metabolights MTBLC38319
PubChem 24211
SureChEMBL SCHEMBL1767536

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