camphor   

GtoPdb Ligand ID: 2422

Synonyms: 2-bornanone | 2-camphanone | bornan-2-one
2D Structure
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Physico-chemical Properties
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
SMILES / InChI / InChIKey
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
Classification
Compound class Natural product or derivative
IUPAC Name
1,7,7-trimethylbicyclo[2.2.1]heptan-2-one
Synonyms
2-bornanone | 2-camphanone | bornan-2-one
Database Links
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
PubChem CID 2537
Search Google for chemical match using the InChIKey DSSYKIVIOFKYAU-UHFFFAOYSA-N
Search Google for chemicals with the same backbone DSSYKIVIOFKYAU
Search UniChem for chemical match using the InChIKey DSSYKIVIOFKYAU-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone DSSYKIVIOFKYAU
Wikipedia Camphor