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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL518421
CHEMBL518421
Compound Name LARICIRESINOL
ChEMBL Synonyms Lariciresinol
Max Phase 0
Trade Names
Molecular Formula C20H24O6

Additional synonyms for CHEMBL518421 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COc1cc(C[C@H]2CO[C@@H]([C@H]2CO)c3ccc(O)c(OC)c3)ccc1O
Standard InChI InChI=1S/C20H24O6/c1-24-18-8-12(3-5-16(18)22)7-14-11-26-20(1 ...
Download InChI
Standard InChI Key MHXCIKYXNYCMHY-AUSJPIAWSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL518421

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
360.4 360.1573 2.51 6 88.38 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 3 0 6 3 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
9.91 - 1.75 1.74 2 26 0.73

Structural Alerts

There are no structural alerts for CHEMBL518421

Compound Cross References

ChemSpider ChemSpider:MHXCIKYXNYCMHY-AUSJPIAWSA-N
Wikipedia Lariciresinol

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL518421



ACToR 27003-73-2
BindingDB 50335920
Brenda 18838 172512
ChEBI 67246
eMolecules 36772341
EPA CompTox Dashboard DTXSID30318362
FDA SRS 73XCE5OZB0
IBM Patent System 2C234776D96C9D75BD0AFF52C9E0E97B
KEGG Ligand C10646
Metabolights MTBLC67246
Nikkaji J17.258H
PubChem 332427
PubChem: Drugs of the Future 57304423
PubChem: Thomson Pharma 14852476
SureChEMBL SCHEMBL121881
ZINC ZINC000004098820

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