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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL487804
CHEMBL487804
Compound Name GRIFOLIN
ChEMBL Synonyms Grifolin
Max Phase 0
Trade Names
Molecular Formula C22H32O2

Additional synonyms for CHEMBL487804 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(=CCC\C(=C\CC\C(=C\Cc1c(O)cc(C)cc1O)\C)\C)C
Standard InChI InChI=1S/C22H32O2/c1-16(2)8-6-9-17(3)10-7-11-18(4)12-13-20-2 ...
Download InChI
Standard InChI Key PZHNKNRPGLTZPO-VZRGJMDUSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL487804

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
328.5 328.2402 6.37 8 40.46 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 2 1 2 2 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
9.68 - 6.74 6.74 1 24 0.54

Structural Alerts

There are 2 structural alerts for CHEMBL487804. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:PZHNKNRPGLTZPO-VZRGJMDUSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL487804



Human Metabolome Database HMDB0030446
Nikkaji J14.586F
PubChem 5372312
PubChem: Thomson Pharma 15372207
SureChEMBL SCHEMBL8589594

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