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camphor   Click here for help

GtoPdb Ligand ID: 2422

Synonyms: 2-bornanone | 2-camphanone | bornan-2-one
Compound class: Natural product
Comment: Camphor is a strong-smelling terpenoid compound that can be obtained from the camphor tree (Cinnamomum camphora). It is also produced synthetically.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 1
Hydrogen bond donors 0
Rotatable bonds 0
Topological polar surface area 17.07
Molecular weight 152.12
XLogP 2.13
No. Lipinski's rules broken 0

Generated using the Chemistry Development Kit (CDK) (Willighagen EL et al. Journal of Cheminformatics vol. 9:33. 2017, doi:10.1186/s13321-017-0220-4; https://cdk.github.io/)

SMILES / InChI / InChIKey
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Canonical SMILES O=C1CC2C(C1(C)CC2)(C)C
Isomeric SMILES O=C1CC2C(C1(C)CC2)(C)C
InChI InChI=1S/C10H16O/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7H,4-6H2,1-3H3
InChI Key DSSYKIVIOFKYAU-UHFFFAOYSA-N

Generated using the Chemistry Development Kit (CDK) (Willighagen EL et al. Journal of Cheminformatics vol. 9:33. 2017, doi:10.1186/s13321-017-0220-4; https://cdk.github.io/)

Classification Click here for help
Compound class Natural product
IUPAC Name Click here for help
1,7,7-trimethylbicyclo[2.2.1]heptan-2-one
Synonyms Click here for help
2-bornanone | 2-camphanone | bornan-2-one
Database Links Click here for help
BindingDB Ligand 50318459
CAS Registry No. 76-22-2
ChEBI CHEBI:36773
ChEMBL Ligand CHEMBL15768
DrugBank Ligand DB01744
DrugCentral Ligand 470
GtoPdb PubChem SID 135652676
LIPID MAPS LMPR0102120001
PubChem CID 2537
Search Google for chemical match using the InChIKey DSSYKIVIOFKYAU-UHFFFAOYSA-N
Search Google for chemicals with the same backbone DSSYKIVIOFKYAU
UniChem Compound Search for chemical match using the InChIKey DSSYKIVIOFKYAU-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey DSSYKIVIOFKYAU-UHFFFAOYSA-N
Wikipedia Camphor

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MedChemExpress
Camphor (links to external site)
Cat. No. HY-N0808