25-Hydroxy-33-methylpentatricontan-6-one
PubChem CID: 14825159
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| Compound Synonyms | 25-hydroxy-33-methylpentatricontan-6-one |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 37.3 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Np Classifier Class | Fatty alcohols, Oxygenated hydrocarbons |
| Deep Smiles | CCCCCC=O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCC))C)))))))))O |
| Heavy Atom Count | 38.0 |
| Classyfire Class | Fatty acyls |
| Classyfire Subclass | Fatty alcohols |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 460.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 25-hydroxy-33-methylpentatriacontan-6-one |
| Veber Rule | False |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 15.1 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C36H72O2 |
| Inchi Key | VFHQZROWJLVUBX-UHFFFAOYSA-N |
| Silicos It Class | Insoluble |
| Rotatable Bond Count | 32.0 |
| Synonyms | 25-hydroxy-33-methylpentatriacontan-6-one |
| Esol Class | Insoluble |
| Functional Groups | CC(C)=O, CO |
| Compound Name | 25-Hydroxy-33-methylpentatricontan-6-one |
| Exact Mass | 536.553 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 536.553 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 537.0 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | False |
| Inchi | InChI=1S/C36H72O2/c1-4-6-24-30-35(37)31-26-21-17-15-13-11-9-7-8-10-12-14-16-18-22-27-32-36(38)33-28-23-19-20-25-29-34(3)5-2/h34,36,38H,4-33H2,1-3H3 |
| Smiles | CCCCCC(=O)CCCCCCCCCCCCCCCCCCC(CCCCCCCC(C)CC)O |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | False |
| Np Classifier Superclass | Fatty acyls |
- 1. Outgoing r'ship
FOUND_INto/from Curculigo Orchioides (Plant) Rel Props:Reference:ISBN:9770972795006