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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

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

Structural Alerts

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

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
BindingDB 50325672
ChEBI 74960
EPA CompTox Dashboard DTXSID30196243
FDA SRS EHE7H3705C
IBM Patent System A7FE66935D113B9BCDD8266347E33574
KEGG Ligand C09756
LipidMaps LMPK12140449
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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