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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL42624
CHEMBL42624
Compound Name PHYSCION
ChEMBL Synonyms Physcion
Max Phase 0
Trade Names
Molecular Formula C16H12O5

Additional synonyms for CHEMBL42624 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COc1cc(O)c2C(=O)c3c(O)cc(C)cc3C(=O)c2c1
Standard InChI InChI=1S/C16H12O5/c1-7-3-9-13(11(17)4-7)16(20)14-10(15(9)19) ...
Download InChI
Standard InChI Key FFWOKTFYGVYKIR-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL42624

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
284.3 284.0685 2.19 1 83.83 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 2 0 5 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
6.23 - 5.08 3.17 2 21 0.72

Structural Alerts

There are 6 structural alerts for CHEMBL42624. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:FFWOKTFYGVYKIR-UHFFFAOYSA-N
PubChem SID: 137474 SID: 174007135 SID: 26750092

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL42624



ACToR 521-61-9
BindingDB 50005886
Brenda 27991 6298 217322
ChEBI 38167
ChemicalBook CB3487525
eMolecules 485760
EPA CompTox Dashboard DTXSID20200101
FDA SRS H6PT94IV61
IBM Patent System 71B8C3F3E6A55870721C40C751BF40D5
KEGG Ligand C17045
Metabolights MTBLC38167
MolPort MolPort-000-165-355
Nikkaji J11.586J
PubChem 10639
PubChem: Thomson Pharma 14848874
Selleck Rheochrysidin-Physcione
SureChEMBL SCHEMBL486155
ZINC ZINC000003978794

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