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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1171146
CHEMBL1171146
Compound Name SARSASAPOGENIN
ChEMBL Synonyms Sarsasapogenin
Max Phase 0
Trade Names
Molecular Formula C27H44O3

Additional synonyms for CHEMBL1171146 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C[C@H]1CC[C@@]2(OC1)O[C@H]3C[C@H]4[C@@H]5CC[C@@H]6C[C@@H](O) ...
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Standard InChI InChI=1S/C27H44O3/c1-16-7-12-27(29-15-16)17(2)24-23(30-27)14 ...
Download InChI
Standard InChI Key GMBQZIIUCVWOCD-WWASVFFGSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1171146

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
416.6 416.329 4.88 0 38.69 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 1 0 3 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 7.05 7.05 0 30 0.61

Structural Alerts

There are no structural alerts for CHEMBL1171146

Compound Cross References

ChemSpider ChemSpider:GMBQZIIUCVWOCD-WWASVFFGSA-N
Wikipedia Sarsasapogenin

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1171146



ACToR 87498-44-0
BindingDB 50442865
Brenda 42773 162206
ChEBI 15578
eMolecules 29534537 1935987
FDA SRS CFS802C28F
Human Metabolome Database HMDB0030024
IBM Patent System A2648FA579BCA0436AD2F292557750B4
KEGG Ligand C03963
LipidMaps LMST01080007
MolPort MolPort-005-932-869
Nikkaji J5.383J
PubChem 92095
PubChem: Thomson Pharma 16736240
Rhea 15578
SureChEMBL SCHEMBL180164
ZINC ZINC000008218968

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