ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL3187473
CHEMBL3187473
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C12H24O11

Additional synonyms for CHEMBL3187473 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO[C@H]1O[C@H](CO)[C@@H] ...
Download SMILES
Standard InChI InChI=1S/C12H24O11/c13-1-4(15)7(17)8(18)5(16)3-22-12-11(21)1 ...
Download InChI
Standard InChI Key SERLAGPUMNYUCK-DCUALPFSSA-N

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL3187473

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
344.3 344.1319 -5.76 8 200.53 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
11 9 2 11 9 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
12.89 - -4.91 -4.91 0 23 0.2

Structural Alerts

There are 3 structural alerts for CHEMBL3187473. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:SERLAGPUMNYUCK-DCUALPFSSA-N
PubChem SID: 144208112

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL3187473



ACToR 64519-82-0 124569-57-9 20942-99-8
Brenda 56452
EPA CompTox Dashboard DTXSID60872321
FDA SRS G97P6S66E9
IBM Patent System 01035F89752803C6DEF315D8C57B5952
Nikkaji J225.364J
PubChem 88735
PubChem: Thomson Pharma 14925056
SureChEMBL SCHEMBL154031
ZINC ZINC000031319586

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