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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL486208
CHEMBL486208
Compound Name BORNEOL
ChEMBL Synonyms (-) Borneol | Borneol
Max Phase 0
Trade Names
Molecular Formula C10H18O

Additional synonyms for CHEMBL486208 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC1(C)[C@@H]2CC[C@@]1(C)[C@@H](O)C2
Standard InChI InChI=1S/C10H18O/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7-8,11H,4-6H2 ...
Download InChI
Standard InChI Key DTGKSKDOIYIVQL-WEDXCCLWSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL486208

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 1.98 0 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
- - 2.55 2.55 0 11 0.57

Structural Alerts

There are no structural alerts for CHEMBL486208

Compound Cross References

ChemSpider ChemSpider:DTGKSKDOIYIVQL-WEDXCCLWSA-N
Wikipedia Borneol

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL486208



Brenda 31439 10443
ChEBI 15393
eMolecules 483795
EPA CompTox Dashboard DTXSID2058700
FDA SRS 8D24LWT4FK
Guide to Pharmacology 6413
IBM Patent System CB8C20D422DC2B8BAC6697D26880AC86
Metabolights MTBLC15393
Nikkaji J9.305J
NMRShiftDB 60000010
PubChem 6552009
PubChem: Thomson Pharma 15934715
Rhea 15393
SureChEMBL SCHEMBL56713
ZINC ZINC000000968100

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