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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2268554
CHEMBL2268554
Compound Name FENCHONE
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C10H16O

Additional synonyms for CHEMBL2268554 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC12CCC(C1)C(C)(C)C2=O
Standard InChI InChI=1S/C10H16O/c1-9(2)7-4-5-10(3,6-7)8(9)11/h7H,4-6H2,1-3H ...
Download InChI
Standard InChI Key LHXDLQBQYFFVNW-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2268554

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 CHEMBL2268554. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:LHXDLQBQYFFVNW-UHFFFAOYSA-N
PubChem SID: 144205949

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2268554



ACToR 7787-20-4 1195-79-5 4695-62-9
Brenda 93033 48397
ChEBI 4999
eMolecules 487479 25767801
EPA CompTox Dashboard DTXSID9025324
Human Metabolome Database HMDB0034985
IBM Patent System E9907BFFB6C70A737F6C9ADE902E6089
KEGG Ligand C11387 C09859
LipidMaps LMPR0102120016
Mcule MCULE-7563797223
Metabolights MTBLC4999
MolPort MolPort-002-536-693
Nikkaji J125B
NMRShiftDB 10008911
PubChem 14525
PubChem: Thomson Pharma 15413017
SureChEMBL SCHEMBL57584

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