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Compound Report Card

Compound Name and Classification

Compound ID 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- ...
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Structural Alerts

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

Alternate Forms of Compound in ChEMBL


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 2.5 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 0.53

Compound Cross References

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
eMolecules 2724282
Human Metabolome Database HMDB35824
IBM Patent System 216C20CD4B0034229FD4DD12A89919B1
IBM Patents EP1830651A2 EP1690075B1 WO2005004825A1 US5608119 US20010055646 US6271226 US20090042921 US6420334 US20090143228 WO2000064895A1 WO2003048128A1 US20020168422 EP0636690B1 WO2008138395A1 US20070173539 US6998382 WO2000064881A1 WO2003053902A1 WO2001055144A1 EP2201841A1 US3974222 EP2120246A2 EP1746968A2 EP1853607A2 US5364723 US20040242463 EP1340807B1 WO2000002991A1 WO2006122952A1 US4269862 EP1812546A1 US7507429 EP0934302B1 EP0380047A2 EP0371493A1 EP1976855A1 EP1503853B1 US7674807 EP1501362A1 EP1664256A1 US20060113506 EP0975630A1 US5897961 US7767640 US7182950 EP2004635A1 US20050027017 EP1841744A1 EP1236796B1 US20020120014 WO2007002887A1 US7709436 EP2116126A1 US20100316794 US4767882 US6019855 EP0286316B1 EP1357159A2 EP1589825B9 US20040242662 WO2000046337A1 EP1718283A2 EP1890770A2 WO2007027260A1 EP1928818A1 WO2001055140A1 EP1536761A1 EP1349911A1 US5190747 WO2008086948A1 WO2000014091A1 US20030207869 US20100215775 WO2009006397A2 US6761919 US20050187137 US20040068920 EP0888431B1 US20040059129 US20030192562 US20020164398 EP0975220B1 WO2004013339A1 US20100144794 WO2010041270A2 EP1902632A1 EP1340808B1 EP1100516B1 WO2005074686A1 US20040097398 WO2008142029A1 WO2007038919A1 WO2005042492A1 EP1053223A1 US20040087239 US20100272783 WO2008012027A1 WO2007048851A1 US6932986 EP1996644A2
Mcule MCULE-6744252540
MolPort MolPort-002-506-968
Nikkaji J4.522E
NMRShiftDB 10008722
PubChem 7439
PubChem: Thomson Pharma 15486739

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