ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

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 ...
Download InChI
Standard InChI Key WEYVVCKOOFYHRW-UHFFFAOYSA-N

Structural Alerts

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

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

Compound Cross References

ChemSpider ChemSpider:WEYVVCKOOFYHRW-UHFFFAOYSA-N
Wikipedia Usnic_acid

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL242022



ChEBI 38319
PubChem 24211
SureChEMBL SCHEMBL1767536

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