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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
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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