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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL25719
CHEMBL25719
Compound Name GERANIOL
ChEMBL Synonyms Geraniol
Max Phase 0
Trade Names
Molecular Formula C10H18O

Additional synonyms for CHEMBL25719 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(=CCC\C(=C\CO)\C)C
Standard InChI InChI=1S/C10H18O/c1-9(2)5-4-6-10(3)7-8-11/h5,7,11H,4,6,8H2,1 ...
Download InChI
Standard InChI Key GLZPCOQZEFWAFX-JXMROGBWSA-N

Sources

  • DrugMatrix
  • Patent Bioactivity Data
  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL25719

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 2.67 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
- - 2.94 2.94 0 11 0.62

Structural Alerts

There are 2 structural alerts for CHEMBL25719. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:GLZPCOQZEFWAFX-JXMROGBWSA-N
PubChem SID: 144203561 SID: 144209584 SID: 144210456 SID: 170465692 SID: 26748503 SID: 26753731 SID: 4252542 SID: 74795
Wikipedia Geraniol

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL25719



ACToR 68311-14-8
BindingDB 50037023
Brenda 175566 987 170851 84016 210804
ChEBI 17447
ChemicalBook CB1275768 CB7698233
DrugBank DB14183
eMolecules 484554
EPA CompTox Dashboard DTXSID8026727
FDA SRS L837108USY
Guide to Pharmacology 2467
Human Metabolome Database HMDB0035155
IBM Patent System 8D28FFF22AFBF9A61754E11AE929D8F3
KEGG Ligand C01500
LINCS LSM-44633
LipidMaps LMPR0102010016
Metabolights MTBLC17447
MolPort MolPort-001-769-751
Nikkaji J3.240I J297.798B
NMRShiftDB 10016282 10008915
PDBe 64Z
PubChem 637566
PubChem: Drugs of the Future 56310602
PubChem: Thomson Pharma 14772356
Rhea 17447
SureChEMBL SCHEMBL19824
ZINC ZINC000001529210

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