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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL245067
CHEMBL245067
Compound Name PHLORIZIN
ChEMBL Synonyms Phloridzin
Max Phase 0
Trade Names
Molecular Formula C21H24O10

Additional synonyms for CHEMBL245067 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES OC[C@H]1O[C@@H](Oc2cc(O)cc(O)c2C(=O)CCc3ccc(O)cc3)[C@H](O)[C ...
Download SMILES
Standard InChI InChI=1S/C21H24O10/c22-9-16-18(27)19(28)20(29)21(31-16)30-15 ...
Download InChI
Standard InChI Key IOUVKUPGCMBWBT-QNDFHXLGSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL245067

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
436.4 436.1369 0.83 7 177.14 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
10 7 1 10 7 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
7.15 - -.37 -.98 2 31 0.31

Structural Alerts

There are 3 structural alerts for CHEMBL245067. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:IOUVKUPGCMBWBT-QNDFHXLGSA-N
PubChem SID: 26754204
Wikipedia Phlorizin

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL245067



ACToR 112318-65-7
BindingDB 20875
Brenda 111914 1563 7269
ChEBI 8113
eMolecules 1935951
EPA CompTox Dashboard DTXSID3075339
FDA SRS CU9S17279X
Guide to Pharmacology 4757
Human Metabolome Database HMDB0036634
IBM Patent System A03A0B4D5E066A73CC10778DD0FA0DD1
KEGG Ligand C01604
LINCS LSM-25654
Mcule MCULE-5327734531
Metabolights MTBLC8113
MolPort MolPort-002-525-341
Nikkaji J4.807K
PubChem 6072
PubChem: Drugs of the Future 87550962
PubChem: Thomson Pharma 14832537
Rhea 8113
Selleck Phlorizin(Phloridzin)
SureChEMBL SCHEMBL17290
ZINC ZINC000003875408

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