Longipinene epoxide
PubChem CID: 534552
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| Compound Synonyms | Longipinene epoxide, YIUOYFADMDRLEE-UHFFFAOYSA-N, Q67879996 |
|---|---|
| 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 | C1CCC2C3CC4CC4C2C3C1 |
| Np Classifier Class | Longipinane sesquiterpenoids |
| Deep Smiles | CCC)CCCCCC7C4CCC6)O3))C)))))C |
| Heavy Atom Count | 16.0 |
| Classyfire Class | Prenol lipids |
| Scaffold Graph Node Level | C1CCC2C3CC4OC4C2C3C1 |
| Classyfire Subclass | Sesquiterpenoids |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 360.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1,3,9,9-tetramethyl-4-oxatetracyclo[5.5.0.02,8.03,5]dodecane |
| Veber Rule | True |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 4.1 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C15H24O |
| Scaffold Graph Node Bond Level | C1CCC2C3CC4OC4C2C3C1 |
| Inchi Key | YIUOYFADMDRLEE-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 0.0 |
| Synonyms | longipinene epoxide |
| Esol Class | Soluble |
| Functional Groups | CC1OC1(C)C |
| Compound Name | Longipinene epoxide |
| 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 | 6.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C15H24O/c1-13(2)6-5-7-14(3)9-8-10-15(4,16-10)12(14)11(9)13/h9-12H,5-8H2,1-4H3 |
| Smiles | CC1(CCCC2(C3C1C2C4(C(C3)O4)C)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 Citrus Reticulata (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2002.9699822