Silphiperfol-6-en-3,5-dione
PubChem CID: 91747335
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| Compound Synonyms | Silphiperfol-6-en-3,5-dione, LUEUBVVPFGOSDR-UYJAGUKBSA-N |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 34.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | CC1CCC23CCCC2CC(C)C13 |
| Np Classifier Class | Silphiperfolane sesquiterpenoids |
| Deep Smiles | C[C@H]CC[C@@][C@@H]5CC=O)[C@]5C)C=O)C=C8C))C |
| Heavy Atom Count | 17.0 |
| Classyfire Class | Prenol lipids |
| Scaffold Graph Node Level | OC1CCC23CCCC2CC(O)C13 |
| Classyfire Subclass | Sesquiterpenoids |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 473.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 4.0 |
| Iupac Name | (1S,5R,8R,9S)-2,3,5,9-tetramethyltricyclo[6.3.0.01,5]undec-2-ene-4,6-dione |
| Veber Rule | True |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 2.6 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C15H20O2 |
| Scaffold Graph Node Bond Level | O=C1C=CC23CCCC2CC(=O)C13 |
| Inchi Key | LUEUBVVPFGOSDR-UYJAGUKBSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 0.0 |
| Synonyms | silphiperfol-6-en-3,5-dione |
| Esol Class | Soluble |
| Functional Groups | CC(C)=O, CC1=C(C)C(=O)CC1 |
| Compound Name | Silphiperfol-6-en-3,5-dione |
| Exact Mass | 232.146 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 232.146 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 232.32 |
| 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/C15H20O2/c1-8-5-6-15-10(3)9(2)13(17)14(15,4)12(16)7-11(8)15/h8,11H,5-7H2,1-4H3/t8-,11+,14+,15+/m0/s1 |
| Smiles | C[C@H]1CC[C@@]23[C@@H]1CC(=O)[C@@]2(C(=O)C(=C3C)C)C |
| Np Classifier Biosynthetic Pathway | Terpenoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Sesquiterpenoids |
- 1. Outgoing r'ship
FOUND_INto/from Artemisia Laciniata (Plant) Rel Props:Reference:https://doi.org/10.1002/(sici)1099-1026(199709/10)12:5<315::aid-ffj662>3.0.co;2-q