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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL252364
CHEMBL252364
Compound Name STIGMASTANOL
ChEMBL Synonyms stigmastanol
Max Phase 0
Trade Names
Molecular Formula C29H52O

Additional synonyms for CHEMBL252364 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC ...
Download SMILES
Standard InChI InChI=1S/C29H52O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-1 ...
Download InChI
Standard InChI Key LGJMUZUPVCAVPU-HRJGVYIJSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL252364

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
416.7 416.4018 8.33 6 20.23 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 10.93 10.93 0 30 0.46

Structural Alerts

There are 1 structural alerts for CHEMBL252364. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:LGJMUZUPVCAVPU-HRJGVYIJSA-N
Wikipedia Stigmastanol

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL252364



ACToR 83-45-4 19466-47-8
ChEBI 89400
eMolecules 29533673
FDA SRS C2NJ9WO6O7
IBM Patent System 83AF58AD00877B99CB45B84E221B36D4
LipidMaps LMST01040266
Metabolights MTBLC89400
Nikkaji J4.631K
PubChem 241572
PubChem: Thomson Pharma 15930480 14782284
SureChEMBL SCHEMBL133725
ZINC ZINC000004706381

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