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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL338474
CHEMBL338474
Compound Name HELENALIN
ChEMBL Synonyms Helenalin
Max Phase 0
Trade Names
Molecular Formula C15H18O4

Additional synonyms for CHEMBL338474 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C[C@@H]1C[C@H]2OC(=O)C(=C)[C@H]2[C@H](O)[C@@]3(C)[C@H]1C=CC3 ...
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Standard InChI InChI=1S/C15H18O4/c1-7-6-10-12(8(2)14(18)19-10)13(17)15(3)9( ...
Download InChI
Standard InChI Key ZVLOPMNVFLSSAA-XEPQRQSNSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL338474

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
262.3 262.1205 1.25 0 63.6 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 1 0 4 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
13.29 - -.16 -.16 0 19 0.53

Structural Alerts

There are 10 structural alerts for CHEMBL338474. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:ZVLOPMNVFLSSAA-XEPQRQSNSA-N
PubChem SID: 122585 SID: 26725306 SID: 26756790
Wikipedia Helenalin

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL338474



ACToR 6754-13-8
BindingDB 43484
Brenda 34882
ChEBI 5635
eMolecules 29914215
EPA CompTox Dashboard DTXSID50217868
FDA SRS 4GUY9L896T
KEGG Ligand C09473
Metabolights MTBLC5635
MolPort MolPort-044-561-384
Nikkaji J21.229F
PubChem 23205
PubChem: Thomson Pharma 14848069
SureChEMBL SCHEMBL161593
ZINC ZINC000004098120

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