7,15-Epoxyprezizaane
PubChem CID: 6428364
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| Compound Synonyms | 7,15-Epoxyprezizaane, GVJQGUYLTAQAMV-ZONIWEOESA-N |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 12.5 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CC2CC3(CC3)C3CCC2(C1)C3 |
| Np Classifier Class | Cedrane and Isocedrane sesquiterpenoids |
| Deep Smiles | C[C@H]CCC[C@]5CC[C@H]C5)[C@]C7C)C))CO3 |
| Heavy Atom Count | 16.0 |
| Classyfire Class | Prenol lipids |
| Scaffold Graph Node Level | C1CC2CC3(CO3)C3CCC2(C1)C3 |
| Classyfire Subclass | Sesquiterpenoids |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 347.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 4.0 |
| Iupac Name | (1'S,2S,2'S,8'R)-2',6',6'-trimethylspiro[oxirane-2,7'-tricyclo[6.2.1.01,5]undecane] |
| Veber Rule | True |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 4.0 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C15H24O |
| Scaffold Graph Node Bond Level | C1CC2CC3(CO3)C3CCC2(C1)C3 |
| Inchi Key | GVJQGUYLTAQAMV-ZONIWEOESA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 0.0 |
| Synonyms | 7,15-epoxyprezizaane |
| Esol Class | Soluble |
| Functional Groups | C[C@@]1(C)CO1 |
| Compound Name | 7,15-Epoxyprezizaane |
| Exact Mass | 220.183 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 220.183 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 220.35 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 5.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C15H24O/c1-10-4-5-12-13(2,3)15(9-16-15)11-6-7-14(10,12)8-11/h10-12H,4-9H2,1-3H3/t10-,11+,12?,14-,15-/m0/s1 |
| Smiles | C[C@H]1CCC2[C@]13CC[C@H](C3)[C@]4(C2(C)C)CO4 |
| Np Classifier Biosynthetic Pathway | Terpenoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Sesquiterpenoids |
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FOUND_INto/from Chrysopogon Zizanioides (Plant) Rel Props:Reference:ISBN:9788171360536