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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL487611
CHEMBL487611
Compound Name PINORESINOL
ChEMBL Synonyms Pinoresinol | Epipinoresinol
Max Phase 0
Trade Names
Molecular Formula C20H22O6

Additional synonyms for CHEMBL487611 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COc1cc(ccc1O)[C@@H]2OC[C@H]3[C@@H]2CO[C@@H]3c4ccc(O)c(OC)c4
Standard InChI InChI=1S/C20H22O6/c1-23-17-7-11(3-5-15(17)21)19-13-9-26-20(1 ...
Download InChI
Standard InChI Key HGXBRUKMWQGOIE-WZBLMQSHSA-N

Structural Alerts

There are no structural alerts for CHEMBL487611

Alternate Forms of Compound in ChEMBL


CHEMBL487611

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 2.18 4 77.38 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
9.54 - 1.59 1.59 2 26 0.87

Compound Cross References

ChemSpider ChemSpider:HGXBRUKMWQGOIE-WZBLMQSHSA-N
PubChem SID: 85149111
Wikipedia Pinoresinol

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL487611



BindingDB 50379794
Nikkaji J322.964E
PubChem 637584
PubChem: Thomson Pharma 15027192
SureChEMBL SCHEMBL10019016

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