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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2359248
CHEMBL2359248
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C40H56O2

Additional synonyms for CHEMBL2359248 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C\C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)C[C@@H](O)CC1(C)C) ...
Download SMILES
Standard InChI InChI=1S/C40H56O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41 ...
Download InChI
Standard InChI Key JKQXZKUSFCKOGQ-QAYBQHTQSA-N

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL2359248

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
568.9 568.428 10.55 10 40.46 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 2 2 2 2 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 10.92 10.92 0 42 0.26

Structural Alerts

There are 7 structural alerts for CHEMBL2359248. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:JKQXZKUSFCKOGQ-QAYBQHTQSA-N
PubChem SID: 144206223

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2359248



ACToR 144-68-3
Brenda 1849
CarotenoidDB CA00328
ChEBI 27547
ChemicalBook CB4178453
DrugBank DB11176
eMolecules 25692904
EPA CompTox Dashboard DTXSID5046807
FDA SRS CV0IB81ORO
KEGG Ligand C06098
LipidMaps LMPR01070261
Metabolights MTBLC27547
MolPort MolPort-003-850-876
Nikkaji J5.830K J522.346F J522.347D J522.348B
PubChem 5280899
PubChem: Thomson Pharma 14788681 14935481
Rhea 27547
SureChEMBL SCHEMBL19442
ZINC ZINC000008220175

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