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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL15768
CHEMBL15768
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C10H16O

Additional synonyms for CHEMBL15768 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC1(C)C2CCC1(C)C(=O)C2
Standard InChI InChI=1S/C10H16O/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7H,4-6H2,1-3H ...
Download InChI
Standard InChI Key DSSYKIVIOFKYAU-UHFFFAOYSA-N

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL15768

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
152.2 152.1201 2.4 0 17.07 -


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
1 0 0 1 0 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 2.09 2.09 0 11 0.52

Structural Alerts

There are 1 structural alerts for CHEMBL15768. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:DSSYKIVIOFKYAU-UHFFFAOYSA-N
PubChem SID: 144207435
Wikipedia Camphor

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL15768



ACToR 464-49-3 21368-68-3 464-48-2 76-22-2
Brenda 10609
ChEBI 36773
DrugBank DB14156
DrugCentral 470
eMolecules 711328 925036
EPA CompTox Dashboard DTXSID5030955
Guide to Pharmacology 2422
IBM Patent System 7B2AF9250D4D332B8501EBBA5C2AE713
KEGG Ligand C18369 C00809
LipidMaps LMPR0102120001
Mcule MCULE-2476865084
Metabolights MTBLC36773
MolPort MolPort-002-506-944
Nikkaji J4.364H
NMRShiftDB 20253146
PubChem 2537
PubChem: Thomson Pharma 15146886
SureChEMBL SCHEMBL16068

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