6-Camphenone
PubChem CID: 14088350
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| Compound Synonyms | 6-Camphenone, ANYFZDNBRIMCPS-UHFFFAOYSA-N, Q67879642 |
|---|---|
| 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 | CC1CC2CC1CC2C |
| Np Classifier Class | Camphane monoterpenoids |
| Deep Smiles | O=CCCCC5CC5=C))C)C |
| Heavy Atom Count | 11.0 |
| Classyfire Class | Prenol lipids |
| Scaffold Graph Node Level | CC1CC2CC1CC2O |
| Classyfire Subclass | Monoterpenoids |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 237.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 6,6-dimethyl-5-methylidenebicyclo[2.2.1]heptan-2-one |
| Veber Rule | True |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 1.5 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C10H14O |
| Scaffold Graph Node Bond Level | C=C1CC2CC1CC2=O |
| Inchi Key | ANYFZDNBRIMCPS-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 0.0 |
| Synonyms | 6-camphenone |
| Esol Class | Very soluble |
| Functional Groups | C=C(C)C, CC(C)=O |
| Compound Name | 6-Camphenone |
| Exact Mass | 150.104 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 150.104 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 150.22 |
| 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/C10H14O/c1-6-7-4-8(9(11)5-7)10(6,2)3/h7-8H,1,4-5H2,2-3H3 |
| Smiles | CC1(C2CC(C1=C)CC2=O)C |
| Np Classifier Biosynthetic Pathway | Terpenoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Monoterpenoids |
- 1. Outgoing r'ship
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FOUND_INto/from Geranium Robertianum (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.2730070410 - 4. Outgoing r'ship
FOUND_INto/from Heracleum Candolleanum (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2007.9699304 - 5. Outgoing r'ship
FOUND_INto/from Solanum Americanum (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2014.895194