Chrysanthenone epoxide
PubChem CID: 91750184
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| Compound Synonyms | Chrysanthenone epoxide, MJKUEDLCFFNGOC-UHFFFAOYSA-N, Q67879776 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 29.6 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | CC1C2CC3CC3C1C2 |
| Np Classifier Class | Carane monoterpenoids |
| Deep Smiles | O=CCCCCC6C6C)C)))C)O3 |
| Heavy Atom Count | 12.0 |
| Classyfire Class | Prenol lipids |
| Scaffold Graph Node Level | OC1C2CC3OC3C1C2 |
| Classyfire Subclass | Monoterpenoids |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 282.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2,8,8-trimethyl-3-oxatricyclo[4.1.1.02,4]octan-7-one |
| Veber Rule | True |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 1.0 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C10H14O2 |
| Scaffold Graph Node Bond Level | O=C1C2CC3OC3C1C2 |
| Inchi Key | MJKUEDLCFFNGOC-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 0.0 |
| Synonyms | chrysanthenone epoxide |
| Esol Class | Very soluble |
| Functional Groups | CC(C)=O, CC1OC1(C)C |
| Compound Name | Chrysanthenone epoxide |
| Exact Mass | 166.099 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 166.099 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 166.22 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C10H14O2/c1-9(2)5-4-6-10(3,12-6)8(9)7(5)11/h5-6,8H,4H2,1-3H3 |
| Smiles | CC1(C2CC3C(C1C2=O)(O3)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 Satureja Montana (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2009.10643720