15-Nonacosanone
PubChem CID: 75997
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| Compound Synonyms | 15-Nonacosanone, Nonacosan-15-one, 2764-73-0, Dimyristyl ketone, Ditetradecyl ketone, EINECS 220-434-6, DTXSID40182016, SCHEMBL7617211, DTXCID50104507, NS00049091, 220-434-6 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 17.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Np Classifier Class | Oxygenated hydrocarbons |
| Deep Smiles | CCCCCCCCCCCCCCC=O)CCCCCCCCCCCCCC |
| Heavy Atom Count | 30.0 |
| Classyfire Class | Organooxygen compounds |
| Description | Isolated from cabbage leaves (Brassica oleracea). 15-Nonacosanone is found in brassicas. |
| Classyfire Subclass | Carbonyl compounds |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 292.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | nonacosan-15-one |
| Class | Carbonyl compounds |
| Veber Rule | False |
| Classyfire Superclass | Organic oxygen compounds |
| Xlogp | 13.5 |
| Superclass | Organooxygen compounds |
| Subclass | Ketones |
| Gsk 4 400 Rule | False |
| Molecular Formula | C29H58O |
| Inchi Key | FVKQALGTGOKSSK-UHFFFAOYSA-N |
| Silicos It Class | Insoluble |
| Rotatable Bond Count | 26.0 |
| State | Solid |
| Synonyms | Dimyristyl ketone, Ditetradecyl ketone, Nonacosan-15-one, 15-nonacosanone, nonacosan-15-one |
| Substituent Name | Ketone, Hydrocarbon derivative, Aliphatic acyclic compound |
| Esol Class | Poorly soluble |
| Functional Groups | CC(C)=O |
| Compound Name | 15-Nonacosanone |
| Kingdom | Organic compounds |
| Exact Mass | 422.449 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 422.449 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 422.8 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C29H58O/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29(30)28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-28H2,1-2H3 |
| Smiles | CCCCCCCCCCCCCCC(=O)CCCCCCCCCCCCCC |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | False |
| Taxonomy Direct Parent | Ketones |
| Np Classifier Superclass | Fatty acyls |
- 1. Outgoing r'ship
FOUND_INto/from Brassica Oleracea (Plant) Rel Props:Reference:https://doi.org/10.2174/0929867033456729 - 2. Outgoing r'ship
FOUND_INto/from Garuga Pinnata (Plant) Rel Props:Reference:ISBN:9788172362300 - 3. Outgoing r'ship
FOUND_INto/from Tinospora Sinensis (Plant) Rel Props:Reference:ISBN:9788171360536; ISBN:9788172363130; ISBN:9788185042138