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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL519092
CHEMBL519092
Compound Name LONGIFORENE
ChEMBL Synonyms Longiforene
Max Phase 0
Trade Names
Molecular Formula C15H24

Additional synonyms for CHEMBL519092 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC1(C)CCC[C@@]2(C)[C@@H]3CC[C@@H]([C@H]13)C2=C
Standard InChI InChI=1S/C15H24/c1-10-11-6-7-12-13(11)14(2,3)8-5-9-15(10,12) ...
Download InChI
Standard InChI Key PDSNLYSELAIEBU-GUIRCDHDSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL519092

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
204.4 204.1878 4.42 0 0 -


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
0 0 0 0 0 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 6.17 6.17 0 15 0.51

Structural Alerts

There are 2 structural alerts for CHEMBL519092. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:PDSNLYSELAIEBU-GUIRCDHDSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL519092



ChEBI 49282
EPA CompTox Dashboard DTXSID9047045
FDA SRS 3YXH7YY8WM
IBM Patent System D410E746D8BA05D1FC4CC080C1BAA91C
LipidMaps LMPR0103500017
MolPort MolPort-046-196-927
Nikkaji J12.093F
PubChem 1796220
PubChem: Thomson Pharma 15972154 16131230
SureChEMBL SCHEMBL3693901
ZINC ZINC000002140511

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