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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL226507
CHEMBL226507
Compound Name SINENSETIN
ChEMBL Synonyms Sinensetin
Max Phase 0
Trade Names
Molecular Formula C20H20O7

Additional synonyms for CHEMBL226507 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COc1ccc(cc1OC)C2=CC(=O)c3c(OC)c(OC)c(OC)cc3O2
Standard InChI InChI=1S/C20H20O7/c1-22-13-7-6-11(8-15(13)23-2)14-9-12(21)18 ...
Download InChI
Standard InChI Key LKMNXYDUQXAUCZ-UHFFFAOYSA-N

Structural Alerts

There are 4 structural alerts for CHEMBL226507. To view alerts please click here.

Alternate Forms of Compound in ChEMBL


CHEMBL226507

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
372.4 372.1209 3.05 6 72.45 -


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 2.63 2.63 2 27 0.77

Compound Cross References

ChemSpider ChemSpider:LKMNXYDUQXAUCZ-UHFFFAOYSA-N
PubChem SID: 26757004
Wikipedia Sinensetin

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL226507



ACToR 2306-27-6
BindingDB 50338975
ChEBI 9159
eMolecules 1936007
FDA SRS 240LNZ51AT
Human Metabolome Database HMDB36633
IBM Patent System AFE61714CC31F7FFD6DA917C934E185C
KEGG Ligand C10186
LINCS LSM-3903
MolPort MolPort-001-741-112
Nikkaji J94.519F
NMRShiftDB 20237348
PubChem 145659
PubChem: Thomson Pharma 14779639
SureChEMBL SCHEMBL621101
ZINC ZINC01531698

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