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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL225815
CHEMBL225815
Compound Name CYCLOARTENOL
ChEMBL Synonyms Cycloartenol
Max Phase 0
Trade Names
Molecular Formula C30H50O

Additional synonyms for CHEMBL225815 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C[C@H](CCC=C(C)C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@ ...
Download SMILES
Standard InChI InChI=1S/C30H50O/c1-20(2)9-8-10-21(3)22-13-15-28(7)24-12-11- ...
Download InChI
Standard InChI Key ONQRKEUAIJMULO-YBXTVTTCSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL225815

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
426.7 426.3862 8.17 4 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
- - 10.3 10.3 0 31 0.45

Structural Alerts

There are 2 structural alerts for CHEMBL225815. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:ONQRKEUAIJMULO-YBXTVTTCSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL225815



eMolecules 30512611
EPA CompTox Dashboard DTXSID60894760
FDA SRS YU32VE82N3
IBM Patent System B99CA3A861661389F6FDEBA83233A686
KEGG Ligand C01902
Nikkaji J11.335B
PubChem 92110
PubChem: Thomson Pharma 26677793
SureChEMBL SCHEMBL560780
ZINC ZINC000004654608

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