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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL25308
CHEMBL25308
Compound Name FARNESOL
ChEMBL Synonyms Farnesol
Max Phase 0
Trade Names
Molecular Formula C15H26O

Additional synonyms for CHEMBL25308 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(=CCC\C(=C\CC\C(=C\CO)\C)\C)C
Standard InChI InChI=1S/C15H26O/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16/h7, ...
Download InChI
Standard InChI Key CRDAMVZIKSXKFV-YFVJMOTDSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL25308

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
- - 4.83 4.83 0 16 0.63

Structural Alerts

There are 2 structural alerts for CHEMBL25308. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:CRDAMVZIKSXKFV-YFVJMOTDSA-N
PubChem SID: 144212351 SID: 26749666 SID: 26753762 SID: 26753763 SID: 26753764
Wikipedia Farnesol

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL25308



ACToR 106-28-5
BindingDB 11021
Brenda 144645 8201 43205 6370
ChEBI 16619
ChemicalBook CB4669245
eMolecules 494077
EPA CompTox Dashboard DTXSID2040789
FDA SRS X23PI60R17
Human Metabolome Database HMDB0004305
KEGG Ligand C06081 C01126
LINCS LSM-43184
LipidMaps LMPR0103010001
Metabolights MTBLC16619
MolPort MolPort-001-769-747
Nikkaji J672.101J J505.873B J8.753J J5.049K
NMRShiftDB 10016283
PubChem 445070
PubChem: Thomson Pharma 15121467
Rhea 16619
SureChEMBL SCHEMBL58068
ZINC ZINC000001532860

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