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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL151210
CHEMBL151210
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C22H26O7

Additional synonyms for CHEMBL151210 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COc1ccc(cc1OC)C2OCC3(O)C2COC3c4ccc(OC)c(OC)c4
Standard InChI InChI=1S/C22H26O7/c1-24-16-7-5-13(9-18(16)26-3)20-15-11-28-2 ...
Download InChI
Standard InChI Key MEIWPHMJWJAVIY-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL151210

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
402.4 402.1679 2.91 6 75.61 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
7 1 0 7 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
13.06 - 1.63 1.63 2 29 0.8

Structural Alerts

There are no structural alerts for CHEMBL151210

Compound Cross References

ChemSpider ChemSpider:MEIWPHMJWJAVIY-UHFFFAOYSA-N
PubChem SID: 26657993

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL151210



ACToR 469-28-3 597-01-3
eMolecules 7361278
EPA CompTox Dashboard DTXSID20284289
Mcule MCULE-2548152663
MolPort MolPort-001-741-608
Nikkaji J1.699.357C
PubChem 235321

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