Camphenilone
PubChem CID: 93073
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 3,3-Dimethylbicyclo[2.2.1]heptan-2-one, 13211-15-9, Camphenilone, Bicyclo[2.2.1]heptan-2-one, 3,3-dimethyl-, 2-Norbornanone, 3,3-dimethyl-, 3,3-Dimethylnorcamphor, EINECS 236-179-9, 3,3-Dimethylbicyclo(2.2.1)heptan-2-one, CHEBI:132827, DTXSID60927542, Bicyclo(2.2.1)heptan-2-one, 3,3-dimethyl-, Camphenilon, 6069-71-2, NSC176900, 3,3-Dimethyl-bicyclo[2.2.1]heptan-2-one, 3,3-Dimethylnorbornan-2-on, SCHEMBL14721197, DTXCID20912833, NAA21115, AKOS004120829, NSC-176900, CS-0265213, NS00051776, EN300-96983, (1S,4R)-3,3-dimethylbicyclo[2.2.1]heptan-2-one, Q67879755, 236-179-9, 52363-25-4 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 17.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | CC1CC2CCC1C2 |
| Np Classifier Class | Fenchane monoterpenoids |
| Deep Smiles | O=CCCCCC6C)C))C5 |
| Heavy Atom Count | 10.0 |
| Classyfire Class | Prenol lipids |
| Scaffold Graph Node Level | OC1CC2CCC1C2 |
| Classyfire Subclass | Monoterpenoids |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 181.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3,3-dimethylbicyclo[2.2.1]heptan-2-one |
| Veber Rule | True |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 1.9 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C9H14O |
| Scaffold Graph Node Bond Level | O=C1CC2CCC1C2 |
| Inchi Key | ZYPYEBYNXWUCEA-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 0.0 |
| Synonyms | camphenilone |
| Esol Class | Very soluble |
| Functional Groups | CC(C)=O |
| Compound Name | Camphenilone |
| Exact Mass | 138.104 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 138.104 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 138.21 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C9H14O/c1-9(2)7-4-3-6(5-7)8(9)10/h6-7H,3-5H2,1-2H3 |
| Smiles | CC1(C2CCC(C2)C1=O)C |
| Np Classifier Biosynthetic Pathway | Terpenoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Monoterpenoids |
- 1. Outgoing r'ship
FOUND_INto/from Alpinia Calcarata (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2005.9698941 - 2. Outgoing r'ship
FOUND_INto/from Alpinia Malaccensis (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2017.1374216 - 3. Outgoing r'ship
FOUND_INto/from Amomum Subulatum (Plant) Rel Props:Reference:https://doi.org/10.1002/(sici)1099-1026(1998090)13:5<349::aid-ffj758>3.0.co;2-o - 4. Outgoing r'ship
FOUND_INto/from Artemisia Abrotanum (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.2730100105 - 5. Outgoing r'ship
FOUND_INto/from Artemisia Absinthium (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.2730100105 - 6. Outgoing r'ship
FOUND_INto/from Artemisia Annua (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.2730100105 - 7. Outgoing r'ship
FOUND_INto/from Artemisia Scoparia (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1426 - 8. Outgoing r'ship
FOUND_INto/from Artemisia Vulgaris (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.2730100105 - 9. Outgoing r'ship
FOUND_INto/from Bassia Scoparia (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2012.10644076 - 10. Outgoing r'ship
FOUND_INto/from Cupressus Macrocarpa (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2007.10643573 - 11. Outgoing r'ship
FOUND_INto/from Hyptis Suaveolens (Plant) Rel Props:Reference:https://doi.org/10.1080/0972-060x.2003.10643338 - 12. Outgoing r'ship
FOUND_INto/from Lavandula Stoechas (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2014.1001527 - 13. Outgoing r'ship
FOUND_INto/from Mentha Pulegium (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2019.1642800 - 14. Outgoing r'ship
FOUND_INto/from Satureja Montana (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2009.10643720 - 15. Outgoing r'ship
FOUND_INto/from Teucrium Polium (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1463 - 16. Outgoing r'ship
FOUND_INto/from Thymus Vulgaris (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2014.985733