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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL25306
CHEMBL25306
Compound Name LINALOOL
ChEMBL Synonyms Linalool
Max Phase 0
Trade Names
Molecular Formula C10H18O

Additional synonyms for CHEMBL25306 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(=CCCC(C)(O)C=C)C
Standard InChI InChI=1S/C10H18O/c1-5-10(4,11)8-6-7-9(2)3/h5,7,11H,1,6,8H2,2 ...
Download InChI
Standard InChI Key CDOSHBSSFJOMGT-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL25306

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
154.3 154.1358 2.74 4 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
- - 2.8 2.8 0 11 0.62

Structural Alerts

There are 4 structural alerts for CHEMBL25306. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:CDOSHBSSFJOMGT-UHFFFAOYSA-N
PubChem SID: 144208856 SID: 144213354 SID: 17388947 SID: 26753091 SID: 56462784
Wikipedia Linalool

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL25306



ACToR 126-91-0 78-70-6 11024-20-7 22564-99-4 126-90-9
Brenda 2852 149157 49180 43269 135998
ChEBI 17580
eMolecules 524828
EPA CompTox Dashboard DTXSID7025502
Guide to Pharmacology 2469
Human Metabolome Database HMDB0036100
IBM Patent System 7094A202BF72934E02771E444ECC6585
KEGG Ligand C03985
Mcule MCULE-2407576698
Metabolights MTBLC17580
MolPort MolPort-001-783-101
Nikkaji J86.711J J2.830D
NMRShiftDB 10008832
PubChem 6549
PubChem: Thomson Pharma 15237804
SureChEMBL SCHEMBL20316

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