(1S,3R,6Z,8R,9S)-6-methyl-9-propan-2-yl-2-oxatricyclo[6.3.1.01,3]dodec-6-ene
PubChem CID: 11063978
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| 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 | C1CCC2CC23CCCC(C1)C3 |
| Np Classifier Class | Cadinane sesquiterpenoids |
| Deep Smiles | CC=C[C@@H]C[C@][C@@H]CC8))O3))CC[C@H]6CC)C |
| Heavy Atom Count | 16.0 |
| Classyfire Class | Prenol lipids |
| Scaffold Graph Node Level | C1CCC2OC23CCCC(C1)C3 |
| Classyfire Subclass | Sesquiterpenoids |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 317.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 4.0 |
| Iupac Name | (1S,3R,6Z,8R,9S)-6-methyl-9-propan-2-yl-2-oxatricyclo[6.3.1.01,3]dodec-6-ene |
| Veber Rule | True |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 3.5 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C15H24O |
| Scaffold Graph Node Bond Level | C1=CC2CCCC3(C2)OC3CC1 |
| Inchi Key | ZBBZNJBCTBFTGY-PTYCDIIJSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 1.0 |
| Synonyms | salsolene oxide |
| Esol Class | Soluble |
| Functional Groups | C/C(C)=CC, C[C@H]1O[C@]1(C)C |
| Compound Name | (1S,3R,6Z,8R,9S)-6-methyl-9-propan-2-yl-2-oxatricyclo[6.3.1.01,3]dodec-6-ene |
| 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 | 4.0 |
| Total Bond Stereocenter Count | 1.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C15H24O/c1-10(2)13-6-7-15-9-12(13)8-11(3)4-5-14(15)16-15/h8,10,12-14H,4-7,9H2,1-3H3/b11-8-/t12-,13+,14-,15+/m1/s1 |
| Smiles | C/C/1=C/[C@@H]2C[C@@]3(CC[C@H]2C(C)C)[C@H](O3)CC1 |
| Np Classifier Biosynthetic Pathway | Terpenoids |
| Defined Bond Stereocenter Count | 1.0 |
| Egan Rule | True |
| Np Classifier Superclass | Sesquiterpenoids |
- 1. Outgoing r'ship
FOUND_INto/from Artemisia Salsoloides (Plant) Rel Props:Reference:ISBN:9788185042145