ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL15676
CHEMBL15676
Compound Name CARVONE
ChEMBL Synonyms Carvone
Max Phase 0
Trade Names
Molecular Formula C10H14O

Additional synonyms for CHEMBL15676 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(=C)C1CC=C(C)C(=O)C1
Standard InChI InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)10(11)6-9/h4,9H,1,5-6H2,2- ...
Download InChI
Standard InChI Key ULDHMXUKGWMISQ-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL15676

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
150.2 150.1045 2.49 1 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
- - 2.27 2.27 0 11 0.52

Structural Alerts

There are 5 structural alerts for CHEMBL15676. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:ULDHMXUKGWMISQ-UHFFFAOYSA-N
PubChem SID: 144212864 SID: 72264
Wikipedia Carvone

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL15676



ACToR 22327-39-5 99-49-0 6485-40-1 2244-16-8
ChEBI 38265
ChemicalBook CB0773601
eMolecules 2724282
EPA CompTox Dashboard DTXSID8047426
Human Metabolome Database HMDB0035824
IBM Patent System 216C20CD4B0034229FD4DD12A89919B1
Mcule MCULE-6744252540
Metabolights MTBLC38265
MolPort MolPort-002-506-968
Nikkaji J4.522E
NMRShiftDB 10008722
PubChem 7439
PubChem: Thomson Pharma 15486739
SureChEMBL SCHEMBL39408

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