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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

Structural Alerts

There are no structural alerts for CHEMBL518421

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

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
ChEBI 67246
eMolecules 36772341
EPA CompTox Dashboard DTXSID30318362
FDA SRS 73XCE5OZB0
IBM Patent System 2C234776D96C9D75BD0AFF52C9E0E97B
KEGG Ligand C10646
Nikkaji J17.258H
PubChem 332427
PubChem: Drugs of the Future 57304423
PubChem: Thomson Pharma 14852476
SureChEMBL SCHEMBL121881
ZINC ZINC04098820

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