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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL471187
CHEMBL471187
Compound Name ECKOL
ChEMBL Synonyms Eckol
Max Phase 0
Trade Names
Molecular Formula C18H12O9

Additional synonyms for CHEMBL471187 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Oc1cc(O)cc(Oc2c(O)cc(O)c3Oc4cc(O)cc(O)c4Oc23)c1
Standard InChI InChI=1S/C18H12O9/c19-7-1-8(20)3-10(2-7)25-16-12(23)6-13(24) ...
Download InChI
Standard InChI Key PCZZRBGISTUIOA-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL471187

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
372.3 372.0481 3.23 2 149.07 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
9 6 1 9 6 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
8.07 - 5.92 5.67 3 27 0.4

Structural Alerts

There are 3 structural alerts for CHEMBL471187. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:PCZZRBGISTUIOA-UHFFFAOYSA-N
Wikipedia Eckol

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL471187



ACToR 88798-74-7
BindingDB 50259982
Brenda 27475
ChEBI 65819
EPA CompTox Dashboard DTXSID40237333
IBM Patent System E585FC046098C2C3D90F038C44624E08
Metabolights MTBLC65819
Nikkaji J410.723C
PubChem 145937
PubChem: Thomson Pharma 15077791
SureChEMBL SCHEMBL2562621
ZINC ZINC000006091359

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