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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL155204
CHEMBL155204
Compound Name
ChEMBL Synonyms 18-Crown-6 | 1,4,7,10,13,16Hexaoxa-Cyclooctadecane | 1,4,7,10,13,16-Hexaoxacyclooctadecane
Max Phase 0
Trade Names
Molecular Formula C12H24O6

Additional synonyms for CHEMBL155204 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C1COCCOCCOCCOCCOCCO1
Standard InChI InChI=1S/C12H24O6/c1-2-14-5-6-16-9-10-18-12-11-17-8-7-15-4-3 ...
Download InChI
Standard InChI Key XEZNGIUYQVAUSS-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL155204

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
264.3 264.1573 0.1 0 55.38 -


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - -.77 -.77 0 18 0.62

Structural Alerts

There are 6 structural alerts for CHEMBL155204. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:XEZNGIUYQVAUSS-UHFFFAOYSA-N
Wikipedia 18-Crown-6

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL155204



ACToR 17455-13-9 134316-24-8
ChEBI 32397
ChemicalBook CB4445218
eMolecules 476760
EPA CompTox Dashboard DTXSID7058626
FDA SRS 63J177NC5B
IBM Patent System 207A5B5C4A497BFA332B3FB6FC904755
Mcule MCULE-8785791645
MolPort MolPort-000-872-046
Nikkaji J49.431C
PDBe O4B
PubChem 28557
PubChem: Thomson Pharma 14823862
SureChEMBL SCHEMBL1119
ZINC ZINC000003861356

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