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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL425148
CHEMBL425148
Compound Name MATAIRESINOL
ChEMBL Synonyms Matairesinol | (-)-Matairesinol
Max Phase 0
Trade Names
Molecular Formula C20H22O6

Additional synonyms for CHEMBL425148 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COc1cc(C[C@H]2COC(=O)[C@@H]2Cc3ccc(O)c(OC)c3)ccc1O
Standard InChI InChI=1S/C20H22O6/c1-24-18-9-12(3-5-16(18)21)7-14-11-26-20(2 ...
Download InChI
Standard InChI Key MATGKVZWFZHCLI-LSDHHAIUSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL425148

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
358.4 358.1416 3.52 6 85.22 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 2 0 6 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
10.02 - 1.66 1.65 2 26 0.77

Structural Alerts

There are 1 structural alerts for CHEMBL425148. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:MATGKVZWFZHCLI-LSDHHAIUSA-N
Wikipedia Matairesinol

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL425148



ACToR 580-72-3
BindingDB 50240921
Brenda 86939
ChEBI 6698
DrugBank DB04200
eMolecules 504687
Human Metabolome Database HMDB0035698
IBM Patent System 021DFC03B5EF13AC5D3B5D8BD264006E
KEGG Ligand C10682
Mcule MCULE-2004788067
Metabolights MTBLC6698
MolPort MolPort-001-742-464
Nikkaji J14.221B
PDBe MAX
PubChem 119205
PubChem: Thomson Pharma 17163848 16403545
Rhea 6698
SureChEMBL SCHEMBL120499
ZINC ZINC000001595957

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