Caron
PubChem CID: 557564
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | Carone, Caranone, 497-62-1, Caron, 3,7,7-Trimethylbicyclo[4.1.0]heptan-2-one, 2-Caranone, 3,7,7-trimethyl-bicyclo[4.1.0]heptan-2-one, 3,7,7-TRIMETHYL-BICYCLO(4.1.0)HEPTAN-2-ONE, Bicyclo[4.1.0]heptan-2-one, 3,7,7-trimethyl-, SCHEMBL215689, DTXSID70339652, CNJLMVZFWLNOEP-UHFFFAOYSA-N, 3,7,7-Trimethylbicyclo[4.1.0]heptan-2-one #, Q67879763 |
|---|---|
| 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 | CC1CCCC2CC12 |
| Np Classifier Class | Carane monoterpenoids |
| Deep Smiles | CCCCCCC6=O))C3C)C |
| Heavy Atom Count | 11.0 |
| Classyfire Class | Prenol lipids |
| Scaffold Graph Node Level | OC1CCCC2CC12 |
| Classyfire Subclass | Monoterpenoids |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 205.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3,7,7-trimethylbicyclo[4.1.0]heptan-2-one |
| Veber Rule | True |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 2.4 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C10H16O |
| Scaffold Graph Node Bond Level | O=C1CCCC2CC12 |
| Inchi Key | CNJLMVZFWLNOEP-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 0.0 |
| Synonyms | carone |
| Esol Class | Soluble |
| Functional Groups | CC(C)=O |
| Compound Name | Caron |
| Exact Mass | 152.12 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 152.12 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 152.23 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C10H16O/c1-6-4-5-7-8(9(6)11)10(7,2)3/h6-8H,4-5H2,1-3H3 |
| Smiles | CC1CCC2C(C1=O)C2(C)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 Achillea Millefolium (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2016.1238323