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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL25424
CHEMBL25424
Compound Name NEROLIDOL
ChEMBL Synonyms Nerolidol | Trans-Nerolidol
Max Phase 0
Trade Names
Molecular Formula C15H26O

Additional synonyms for CHEMBL25424 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(=CCC\C(=C\CCC(C)(O)C=C)\C)C
Standard InChI InChI=1S/C15H26O/c1-6-15(5,16)12-8-11-14(4)10-7-9-13(2)3/h6, ...
Download InChI
Standard InChI Key FQTLCLSUCSAZDY-SDNWHVSQSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL25424

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
222.4 222.1984 4.4 7 20.23 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
1 1 0 1 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 4.68 4.68 0 16 0.63

Structural Alerts

There are 4 structural alerts for CHEMBL25424. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:FQTLCLSUCSAZDY-SDNWHVSQSA-N
PubChem SID: 144205080 SID: 26749854 SID: 26753775

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL25424



ACToR 35944-21-9 11055-57-5 40716-66-3
Brenda 193835 195476
ChEBI 141283
ChemicalBook CB2206877
eMolecules 486084
EPA CompTox Dashboard DTXSID2040783
IBM Patent System F2299E7FB12C39152D0CDC39731BB6B8
MolPort MolPort-002-501-626
Nikkaji J8.909E J26.204H
PubChem 5284507
PubChem: Thomson Pharma 14822742
Rhea 141283
SureChEMBL SCHEMBL114136

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