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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1233349
CHEMBL1233349
Compound Name STREPTOL
ChEMBL Synonyms Streptol
Max Phase 0
Trade Names
Molecular Formula C7H12O5

Additional synonyms for CHEMBL1233349 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES OCC1=C[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O
Standard InChI InChI=1S/C7H12O5/c8-2-3-1-4(9)6(11)7(12)5(3)10/h1,4-12H,2H2/ ...
Download InChI
Standard InChI Key PJPGMULJEYSZBS-VZFHVOOUSA-N

Structural Alerts

There are 1 structural alerts for CHEMBL1233349. To view alerts please click here.

Alternate Forms of Compound in ChEMBL


CHEMBL1233349

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
176.2 176.0685 -2.22 1 101.15 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
13.39 - -3.17 -3.17 0 12 0.29

Compound Cross References

ChemSpider ChemSpider:PJPGMULJEYSZBS-VZFHVOOUSA-N
Wikipedia Valienol

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1233349



Nikkaji J1.316.242E
PDBe HMC
PubChem 5288564
PubChem: Thomson Pharma 16337185

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