Juneol
PubChem CID: 91748550
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| Compound Synonyms | Juneol, WVGOZCUPNULHAM-QPSCCSFWSA-N |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | CC1CCCC2CCCCC12 |
| Np Classifier Class | Germacrane sesquiterpenoids |
| Deep Smiles | CC[C@@H]CC[C@@H][C@][C@H]6O))C)C=C)CCC6)))))))))C |
| Heavy Atom Count | 16.0 |
| Classyfire Class | Prenol lipids |
| Scaffold Graph Node Level | CC1CCCC2CCCCC12 |
| Classyfire Subclass | Sesquiterpenoids |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 281.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 4.0 |
| Iupac Name | (1S,2S,4aR,8aR)-8a-methyl-8-methylidene-2-propan-2-yl-1,2,3,4,4a,5,6,7-octahydronaphthalen-1-ol |
| Veber Rule | True |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 4.3 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C15H26O |
| Scaffold Graph Node Bond Level | C=C1CCCC2CCCCC12 |
| Inchi Key | WVGOZCUPNULHAM-QPSCCSFWSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 1.0 |
| Synonyms | juneol |
| Esol Class | Soluble |
| Functional Groups | C=C(C)C, CO |
| Compound Name | Juneol |
| Exact Mass | 222.198 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 222.198 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 222.37 |
| 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/C15H26O/c1-10(2)13-9-8-12-7-5-6-11(3)15(12,4)14(13)16/h10,12-14,16H,3,5-9H2,1-2,4H3/t12-,13+,14+,15+/m1/s1 |
| Smiles | CC(C)[C@@H]1CC[C@H]2CCCC(=C)[C@@]2([C@H]1O)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 Bursera Graveolens (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1563