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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL8996
CHEMBL8996
Compound Name ERIODICTYOL
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C15H12O6

Additional synonyms for CHEMBL8996 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Oc1cc(O)c2C(=O)C[C@H](Oc2c1)c3ccc(O)c(O)c3
Standard InChI InChI=1S/C15H12O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7 ...
Download InChI
Standard InChI Key SBHXYTNGIZCORC-ZDUSSCGKSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL8996

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
288.3 288.0634 2.22 1 107.22 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 4 0 6 4 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
7.5 - 1.34 .92 2 21 0.6

Structural Alerts

There are 5 structural alerts for CHEMBL8996. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:SBHXYTNGIZCORC-ZDUSSCGKSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL8996



ACToR 552-58-9
BindingDB 50325671
Brenda 7953 56283 25536 155181 144293 2485 13319
ChEBI 28412
eMolecules 530027
FDA SRS Q520486B8Y
Human Metabolome Database HMDB0126018 HMDB0005810
IBM Patent System 286E4C6B3B4E7D30AC79114B14A6B95A
KEGG Ligand C05631
LipidMaps LMPK12140002
MolPort MolPort-003-938-846
Nikkaji J139.243C
PDBe ERD
PubChem 440735
PubChem: Thomson Pharma 16182577
Rhea 28412
SureChEMBL SCHEMBL19180
ZINC ZINC000000058117

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