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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL289191
CHEMBL289191
Compound Name LUPEOL
ChEMBL Synonyms Lupeol | Clerodol | SID397292 | Monogynol B | Fagarasterol | Farganasterol
Max Phase 0
Trade Names
Molecular Formula C30H50O

Additional synonyms for CHEMBL289191 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(=C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[ ...
Download SMILES
Standard InChI InChI=1S/C30H50O/c1-19(2)20-11-14-27(5)17-18-29(7)21(25(20)2 ...
Download InChI
Standard InChI Key MQYXUWHLBZFQQO-QGTGJCAVSA-N

Clinical Trials for Compound

Number of clinical trials registered at clinicaltrials.gov

Alternate Forms of Compound in ChEMBL


CHEMBL289191

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Ro5 Violations #Rotatable Bonds Ro3 Med Chem Friendly Molecular Species
426.7 426.3862 7.4 1 1 No Yes NEUTRAL


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms Num Alerts QED Weighted
- - 10.46 10.46 0 31 1 0.43

Compound Cross References

ChemSpider ChemSpider:MQYXUWHLBZFQQO-QGTGJCAVSA-N
PubChem SID: 397292
Wikipedia Lupeol

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL289191



KEGG Ligand C08628
ChEBI 6570
ZINC ZINC04081455
eMolecules 10141789
Patent WO2000033846A1 WO1999011612A2 WO1989012626A1 EP1001007A1 US5126376 EP0476054A1 US5260342 WO2000026174A2 WO1990014764A1 US4983637 EP0914329A2 US4220588 EP0427781A1 US5086076 US5190979
FDA SRS O268W13H3O
PubChem: Thomson Pharma 14929756 16245752
PubChem 259846

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