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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL490170
CHEMBL490170
Compound Name HOMOERIODICTYOL
ChEMBL Synonyms Homoeriodictyol | (+/-)-Homoeriodictyol | (-)-Homoeriodictyol
Max Phase 0
Trade Names
Molecular Formula C16H14O6

Additional synonyms for CHEMBL490170 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COc1cc(ccc1O)[C@@H]2CC(=O)c3c(O)cc(O)cc3O2
Standard InChI InChI=1S/C16H14O6/c1-21-14-4-8(2-3-10(14)18)13-7-12(20)16-11 ...
Download InChI
Standard InChI Key FTODBIPDTXRIGS-ZDUSSCGKSA-N

Structural Alerts

There are 3 structural alerts for CHEMBL490170. To view alerts please click here.

Alternate Forms of Compound in ChEMBL


CHEMBL490170

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
302.3 302.079 2.36 2 96.22 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 3 0 6 3 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
7.49 - 2.72 2.3 2 22 0.79

Compound Cross References

ChemSpider ChemSpider:FTODBIPDTXRIGS-ZDUSSCGKSA-N
PubChem SID: 26756945
Wikipedia Homoeriodictyol

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL490170



ACToR 446-71-9
BindinDB 50325672
ChEBI 74960
FDA SRS EHE7H3705C
IBM Patent System A7FE66935D113B9BCDD8266347E33574
IBM Patents US4105675
KEGG Ligand C09756
Nikkaji J95.423C
PubChem 73635
PubChem: Thomson Pharma 136366952
SureChEMBL SCHEMBL39497
ZINC ZINC04098322

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