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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL507795
CHEMBL507795
Compound Name TERPINEOL
ChEMBL Synonyms Terpineol
Max Phase 0
Trade Names
Molecular Formula C10H18O

Additional synonyms for CHEMBL507795 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(C)C1(O)CCC(=CC1)C
Standard InChI InChI=1S/C10H18O/c1-8(2)10(11)6-4-9(3)5-7-10/h4,8,11H,5-7H2, ...
Download InChI
Standard InChI Key WRYLYDPHFGVWKC-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL507795

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 2.55 1 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
- - 2.54 2.54 0 11 0.58

Structural Alerts

There are 1 structural alerts for CHEMBL507795. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:WRYLYDPHFGVWKC-UHFFFAOYSA-N
PubChem SID: 144212102
Wikipedia Terpinen-4-ol Terpineol

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL507795



ACToR 562-74-3 1336-05-6
Brenda 38278
ChEBI 78884
DrugBank DB12816
eMolecules 595439
EPA CompTox Dashboard DTXSID4044824
Human Metabolome Database HMDB0035833
IBM Patent System BE371B5B028EEC5E516AA44F5918AAA5
KEGG Ligand C17073
Mcule MCULE-6511194668
Metabolights MTBLC78884
MolPort MolPort-003-959-981
Nikkaji J6.503J
NMRShiftDB 20055164
PubChem 11230
PubChem: Thomson Pharma 14793890
SureChEMBL SCHEMBL22344

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