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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL487783
CHEMBL487783
Compound Name
ChEMBL Synonyms Alpha-Spinasterol
Max Phase 0
Trade Names
Molecular Formula C29H48O

Additional synonyms for CHEMBL487783 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC[C@H](\C=C\[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4C[C@@H](O)CC[ ...
Download SMILES
Standard InChI InChI=1S/C29H48O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-1 ...
Download InChI
Standard InChI Key JZVFJDZBLUFKCA-FXIAWGAOSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL487783

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
412.7 412.3705 7.8 5 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
- - 10.32 10.32 0 30 0.46

Structural Alerts

There are 2 structural alerts for CHEMBL487783. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:JZVFJDZBLUFKCA-FXIAWGAOSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL487783



ACToR 481-18-5
BindingDB 50275507
Brenda 206836 96146
ChEBI 10333
ChemicalBook CB3347160
FDA SRS 0LG993QX1A
KEGG Ligand C08840
LipidMaps LMST01040126
MolPort MolPort-029-887-078
Nikkaji J389.542D J5.774F J143.726G
PubChem 5281331
SureChEMBL SCHEMBL232490
ZINC ZINC000004097824

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