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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1907993
CHEMBL1907993
Compound Name (+)-CITRONELLOL
ChEMBL Synonyms (R)-Citronellol
Max Phase 0
Trade Names
Molecular Formula C10H20O

Additional synonyms for CHEMBL1907993 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C[C@@H](CCO)CCC=C(C)C
Standard InChI InChI=1S/C10H20O/c1-9(2)5-4-6-10(3)7-8-11/h5,10-11H,4,6-8H2, ...
Download InChI
Standard InChI Key QMVPMAAFGQKVCJ-SNVBAGLBSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1907993

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
156.3 156.1514 2.75 5 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
- - 3.24 3.24 0 11 0.61

Structural Alerts

There are 2 structural alerts for CHEMBL1907993. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:QMVPMAAFGQKVCJ-SNVBAGLBSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1907993



ChEBI 10360
eMolecules 496306
EPA CompTox Dashboard DTXSID00880647
FDA SRS P01OUT964K
Human Metabolome Database HMDB0035093 HMDB0035094
IBM Patent System 6F7306BB625FC8380643867BB4FADE90
KEGG Ligand C09849
LipidMaps LMPR0102010008
Mcule MCULE-4399439382 MCULE-3946157075
Metabolights MTBLC10360
MolPort MolPort-002-535-711
Nikkaji J67.959C
PubChem 101977
PubChem: Thomson Pharma 15120241
SureChEMBL SCHEMBL21321
ZINC ZINC000001531601

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