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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2924219
CHEMBL2924219
Compound Name PULEGONE
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C10H16O

Additional synonyms for CHEMBL2924219 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C[C@@H]1CCC(=C(C)C)C(=O)C1
Standard InChI InChI=1S/C10H16O/c1-7(2)9-5-4-8(3)6-10(9)11/h8H,4-6H2,1-3H3/ ...
Download InChI
Standard InChI Key NZGWDASTMWDZIW-MRVPVSSYSA-N

Sources

  • DrugMatrix
  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2924219

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 2.71 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
- - 1.44 1.44 0 11 0.49

Structural Alerts

There are 3 structural alerts for CHEMBL2924219. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:NZGWDASTMWDZIW-MRVPVSSYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2924219



Brenda 144314 8370 8701
ChEBI 35596
ChemicalBook CB3448348
eMolecules 502632
EPA CompTox Dashboard DTXSID2025975
FDA SRS 4LF2673R3G
Human Metabolome Database HMDB0035604
IBM Patent System C5ADD8636318862220A9D96B6A717244
KEGG Ligand C09893
LipidMaps LMPR0102090025
Mcule MCULE-3385582028 MCULE-1921650357
Metabolights MTBLC35596
MolPort MolPort-001-793-332
Nikkaji J3.216F
NMRShiftDB 60000061
PubChem 442495
PubChem: Thomson Pharma 14916152
Rhea 35596
SureChEMBL SCHEMBL38305
ZINC ZINC000005735752

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