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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL105912
CHEMBL105912
Compound Name RASPBERRYKETONE
ChEMBL Synonyms Raspberryketone | Raspberry Ketone
Max Phase 0
Trade Names
Molecular Formula C10H12O2

Additional synonyms for CHEMBL105912 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(=O)CCc1ccc(O)cc1
Standard InChI InChI=1S/C10H12O2/c1-8(11)2-3-9-4-6-10(12)7-5-9/h4-7,12H,2-3 ...
Download InChI
Standard InChI Key NJGBTKGETPDVIK-UHFFFAOYSA-N

Structural Alerts

There are 2 structural alerts for CHEMBL105912. To view alerts please click here.

Alternate Forms of Compound in ChEMBL


CHEMBL105912

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
164.2 164.0837 1.81 3 37.29 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 1 0 2 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
9.99 - 1.31 1.31 1 12 0.74

Compound Cross References

ChemSpider ChemSpider:NJGBTKGETPDVIK-UHFFFAOYSA-N
PubChem SID: 144211776
Wikipedia Raspberry_ketone

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL105912



ACToR 5471-51-2
BindingDB 50315100
ChEBI 68656
eMolecules 485834
FDA SRS 7QY1MH15BG
Human Metabolome Database HMDB33723
IBM Patent System 267DC8147D26FE6914ADD5429CA43CD5
Mcule MCULE-8771951405
MolPort MolPort-000-146-109
Nikkaji J31.103K
PubChem 21648
PubChem: Thomson Pharma 14891717
SureChEMBL SCHEMBL43308
ZINC ZINC00154632

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