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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL519971
CHEMBL519971
Compound Name FUCOSTEROL
ChEMBL Synonyms Fucosterol
Max Phase 0
Trade Names
Molecular Formula C29H48O

Additional synonyms for CHEMBL519971 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C\C=C(/CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@] ...
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 OSELKOCHBMDKEJ-JUGJNGJRSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL519971

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 7.94 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
- - 10.14 10.14 0 30 0.45

Structural Alerts

There are 2 structural alerts for CHEMBL519971. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:OSELKOCHBMDKEJ-JUGJNGJRSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL519971



ACToR 17605-67-3
Brenda 44138
ChEBI 27865
FDA SRS 504ZAM710C
KEGG Ligand C08817
LipidMaps LMST01040255
Metabolights MTBLC27865
MolPort MolPort-044-830-522
Nikkaji J9.102B
PubChem 5281328
PubChem: Drugs of the Future 12015887
PubChem: Thomson Pharma 152142659
SureChEMBL SCHEMBL94291
ZINC ZINC000004097814

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