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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL21103
CHEMBL21103
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C17H14O5

Additional synonyms for CHEMBL21103 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COc1ccc2C3Oc4cc5OCOc5cc4C3COc2c1
Standard InChI InChI=1S/C17H14O5/c1-18-9-2-3-10-13(4-9)19-7-12-11-5-15-16(2 ...
Download InChI
Standard InChI Key YLZYAUCOYZKLMA-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL21103

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
298.3 298.0841 3.03 1 46.15 -


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 0 0 5 0 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 3.99 3.99 2 22 0.81

Structural Alerts

There are 1 structural alerts for CHEMBL21103. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:YLZYAUCOYZKLMA-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL21103



IBM Patent System 80A0B81028821DBAFECA20F2D3035697
LipidMaps LMPK12070053
Nikkaji J150.431B
PubChem 454895
PubChem: Thomson Pharma 16012268
SureChEMBL SCHEMBL1248057

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