Silphiperfolene
PubChem CID: 10867444
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| Compound Synonyms | Silphiperfolene, Silfiperfol-6-ene, VIXZYZFZHINXMQ-KJEVXHAQSA-N |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CC2CCC3CCCC23C1 |
| Np Classifier Class | Silphiperfolane sesquiterpenoids |
| Deep Smiles | C[C@@H]CC[C@][C@H]5CC[C@@]5C)CC=C8C))C |
| Heavy Atom Count | 15.0 |
| Classyfire Class | Prenol lipids |
| Scaffold Graph Node Level | C1CC2CCC3CCCC23C1 |
| Classyfire Subclass | Sesquiterpenoids |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 338.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 4.0 |
| Iupac Name | (1S,5S,8S,9R)-2,3,5,9-tetramethyltricyclo[6.3.0.01,5]undec-2-ene |
| Veber Rule | True |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 4.4 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C15H24 |
| Scaffold Graph Node Bond Level | C1=CC23CCCC2CCC3C1 |
| Inchi Key | VIXZYZFZHINXMQ-KJEVXHAQSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 0.0 |
| Synonyms | silphiperfol-6-ene |
| Esol Class | Soluble |
| Functional Groups | CC(C)=C(C)C |
| Compound Name | Silphiperfolene |
| Exact Mass | 204.188 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 204.188 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 204.35 |
| Gi Absorption | False |
| 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/C15H24/c1-10-5-8-15-12(3)11(2)9-14(15,4)7-6-13(10)15/h10,13H,5-9H2,1-4H3/t10-,13+,14+,15+/m1/s1 |
| Smiles | C[C@@H]1CC[C@]23[C@H]1CC[C@]2(CC(=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 Inula Cuspidata (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2014.891264 - 2. Outgoing r'ship
FOUND_INto/from Pulicaria Dysenterica (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2010.10643884