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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

Structural Alerts

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

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

Compound Cross References

ChemSpider ChemSpider:MATGKVZWFZHCLI-LSDHHAIUSA-N
Wikipedia Matairesinol

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL425148



ACToR 580-72-3
BindinDB 50240921
ChEBI 6698
DrugBank DB04200
eMolecules 504687
Human Metabolome Database HMDB35698
IBM Patent System 021DFC03B5EF13AC5D3B5D8BD264006E
IBM Patents WO2010086736A2 US20100031398 EP2252155A2 EP2046110A2 WO2002098830A1 US20090311329 US20080034453 US20040213859 US6391310 US20070059378 WO2007065023A2 US20050020673 US6258856 US20070166255 US20040156881 WO2006133901A2 US6271257 EP2059220A1 EP1373287A1 EP1554316A1 WO2003047608A1 US20020174452 EP1165537A1 WO2004000304A1 EP1876914A2 US6458831 EP2199388A1 EP1526833A1 WO2008100977A2 WO2002067700A1 WO2002000236A1 US20080057140 US20040224902 EP1377182B1 EP1472239A1 EP1467725A1 WO2004069774A2 US20030190375 WO2009126950A2 US20030190381 US20060234948 US20020192310 WO2000059946A1 WO2009001085A2 WO2004020474A1 US6703229 US7153982 US7049449 WO2004012697A1 EP1294388B1 WO2008009675A2 WO2009101262A2 WO2003092406A1 US20020187211 WO2009033483A1 EP1041964A1 WO2003057209A1 WO2002034277A1 WO2001078720A1 US20080312197 EP1466609B1 US6518319 US20100047294 EP1395539B1 WO2007060368A1 EP1513514A1 US20100261661 US20090130154 EP1682631A1 US20050113351 US7776369 US6767565 US6395279 WO2008005631A2 US20050101541 US20040176336 US6391308 WO2004069248A1 EP1313490A1 WO2003061649A1 WO2002067698A1 US20030055227 US20080045488 WO2008057963A2 US20070077308 EP1466609A1 US20080107776 EP1363507B1 EP2077838A2 EP1503750A1 WO2010000927A1 US20040131579 EP1629723A1 US20090274746 EP1472206A1 US6537593 US6210942 WO1998026784A1 US20040267029 US6635459
KEGG Ligand C10682
Nikkaji J14.221B
PDBe MAX
PubChem 119205
PubChem: Thomson Pharma 17163848 16403545
SureChEMBL SCHEMBL120499
ZINC ZINC01595957

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