Ziza-6(13)-en-12-yl methyl ether
PubChem CID: 6429270
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| Compound Synonyms | Ziza-6(13)-en-12-yl methyl ether |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 9.2 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | CC1CC2CCC3(CCCC13)C2 |
| Np Classifier Class | Zizaane sesquiterpenoids |
| Deep Smiles | COC[C@H]CCC[C@]5CC[C@H]C5)CC7=C))C)C |
| Heavy Atom Count | 17.0 |
| Classyfire Class | Prenol lipids |
| Scaffold Graph Node Level | CC1CC2CCC3(CCCC13)C2 |
| Classyfire Subclass | Sesquiterpenoids |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 343.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 3.0 |
| Iupac Name | (1R,2S,8R)-2-(methoxymethyl)-7,7-dimethyl-6-methylidenetricyclo[6.2.1.01,5]undecane |
| Veber Rule | True |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 4.2 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C16H26O |
| Scaffold Graph Node Bond Level | C=C1CC2CCC3(CCCC13)C2 |
| Inchi Key | KPAXHRFTWMHQDO-UNCXVQOASA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 2.0 |
| Synonyms | ziza-6(13-en-12-yl methyl ether |
| Esol Class | Soluble |
| Functional Groups | C=C(C)C, COC |
| Compound Name | Ziza-6(13)-en-12-yl methyl ether |
| Exact Mass | 234.198 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 234.198 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 234.38 |
| 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/C16H26O/c1-11-14-6-5-13(10-17-4)16(14)8-7-12(9-16)15(11,2)3/h12-14H,1,5-10H2,2-4H3/t12-,13-,14?,16+/m1/s1 |
| Smiles | CC1([C@@H]2CC[C@]3(C2)[C@H](CCC3C1=C)COC)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 Chrysopogon Zizanioides (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2006.9699129