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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1360334
CHEMBL1360334
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C12H22O11

Additional synonyms for CHEMBL1360334 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]2O) ...
Download SMILES
Standard InChI InChI=1S/C12H22O11/c13-1-3-5(14)8(17)10(19)12(23-3)21-2-4-6( ...
Download InChI
Standard InChI Key DLRVVLDZNNYCBX-LIZSDCNHSA-N

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL1360334

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
342.3 342.1162 -5.4 4 189.53 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
11 8 2 11 8 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
12.1 - -4.61 -4.61 0 23 0.24

Structural Alerts

There are 3 structural alerts for CHEMBL1360334. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:DLRVVLDZNNYCBX-LIZSDCNHSA-N
PubChem SID: 26754406

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1360334



ACToR 554-91-6 5996-00-9
Brenda 7161 124634 804 32231 52503 48761 42200 32124
ChEBI 71422
ChemicalBook CB0315621
eMolecules 713329
FDA SRS N2VA1H3TIQ
IBM Patent System 8321C94320FBDACF610354122D0E1255
KEGG Ligand C08240
Nikkaji J1.835.677E
PubChem 441422
PubChem: Thomson Pharma 15050991
SureChEMBL SCHEMBL109658
ZINC ZINC000004097481

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