4(15)-Dehydroglobulol
PubChem CID: 91747483
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| Compound Synonyms | 4(15)-Dehydroglobulol, GHXWXJHYNMHBGF-PMHIFUKMSA-N, Q67879624 |
|---|---|
| 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 | CC1CCC2CCCC3CC3C12 |
| Np Classifier Class | Aromadendrane sesquiterpenoids |
| Deep Smiles | C=CCCCC5[C@@H][C@@H]C3C)C))CC[C@]7C)O |
| Heavy Atom Count | 16.0 |
| Classyfire Class | Prenol lipids |
| Scaffold Graph Node Level | CC1CCC2CCCC3CC3C12 |
| 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 | (1aS,4S,7bS)-1,1,4-trimethyl-7-methylidene-1a,2,3,4a,5,6,7a,7b-octahydrocyclopropa[e]azulen-4-ol |
| Veber Rule | True |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 2.9 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C15H24O |
| Scaffold Graph Node Bond Level | C=C1CCC2CCCC3CC3C12 |
| Inchi Key | GHXWXJHYNMHBGF-PMHIFUKMSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 0.0 |
| Synonyms | 4(15)-dehydroglobulol |
| Esol Class | Soluble |
| Functional Groups | C=C(C)C, CO |
| Compound Name | 4(15)-Dehydroglobulol |
| 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/c1-9-5-6-10-12(9)13-11(14(13,2)3)7-8-15(10,4)16/h10-13,16H,1,5-8H2,2-4H3/t10?,11-,12?,13-,15-/m0/s1 |
| Smiles | C[C@@]1(CC[C@H]2[C@H](C2(C)C)C3C1CCC3=C)O |
| 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 Aglaia Odorata (Plant) Rel Props:Reference:https://doi.org/10.1002/(sici)1099-1026(199907/08)14:4<219::aid-ffj815>3.0.co;2-%23