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ChEMBL Statistics
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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 ...
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Standard InChI Key GMBQZIIUCVWOCD-WWASVFFGSA-N

Structural Alerts

There are no structural alerts for CHEMBL1171146

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

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
ChEBI 15578
eMolecules 29534537 1935987
FDA SRS CFS802C28F
Human Metabolome Database HMDB30024
IBM Patent System A2648FA579BCA0436AD2F292557750B4
KEGG Ligand C03963
Nikkaji J5.383J
PubChem 92095
PubChem: Thomson Pharma 16736240
SureChEMBL SCHEMBL180164

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