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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL303483
CHEMBL303483
Compound Name PHYLLODULCIN
ChEMBL Synonyms Phyllodulcin
Max Phase 0
Trade Names
Molecular Formula C16H14O5

Additional synonyms for CHEMBL303483 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COc1ccc(cc1O)[C@H]2Cc3cccc(O)c3C(=O)O2
Standard InChI InChI=1S/C16H14O5/c1-20-13-6-5-9(7-12(13)18)14-8-10-3-2-4-11 ...
Download InChI
Standard InChI Key PBILBHLAPJTJOT-CQSZACIVSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL303483

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
286.3 286.0841 2.56 2 75.99 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 2 0 5 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
9.57 - 2.3 2.29 2 21 0.83

Structural Alerts

There are 1 structural alerts for CHEMBL303483. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:PBILBHLAPJTJOT-CQSZACIVSA-N
PubChem SID: 85148720

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL303483



ACToR 21499-23-0
ChEBI 8179
FDA SRS 9DDW04R41V
KEGG Ligand C10274
MolPort MolPort-042-681-563
Nikkaji J16.341D
PubChem 146694
PubChem: Thomson Pharma 15022352
SureChEMBL SCHEMBL92727
ZINC ZINC000004098632

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