Grewinol
PubChem CID: 85877866
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| Compound Synonyms | Grewinol, Tetratriacontan-22-ol-13-on, DTXSID501297679, 13-Tetratriacontanone, 22-hydroxy-, 61774-47-8 |
|---|---|
| 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 | CCCCCCCCCCCCCCCCCCCCCC=O)CCCCCCCCCCCC)))))))))))))))))))))O |
| Heavy Atom Count | 36.0 |
| Classyfire Class | Fatty acyls |
| Description | Constituent of the flowers of Grewia asiatica (phalsa). Grewinol is found in fruits. |
| Classyfire Subclass | Fatty alcohols |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 419.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 22-hydroxytetratriacontan-13-one |
| Class | Fatty Acyls |
| Veber Rule | False |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 14.3 |
| Superclass | Lipids and lipid-like molecules |
| Subclass | Fatty alcohols |
| Gsk 4 400 Rule | False |
| Molecular Formula | C34H68O2 |
| Inchi Key | LJBLOIRMOMZGOI-UHFFFAOYSA-N |
| Silicos It Class | Insoluble |
| Rotatable Bond Count | 31.0 |
| State | Solid |
| Synonyms | Grewinol, grewinol |
| Substituent Name | Fatty alcohol, Secondary alcohol, Ketone, Hydrocarbon derivative, Organooxygen compound, Carbonyl group, Alcohol, Aliphatic acyclic compound |
| Esol Class | Poorly soluble |
| Functional Groups | CC(C)=O, CO |
| Compound Name | Grewinol |
| Kingdom | Organic compounds |
| Exact Mass | 508.522 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 508.522 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 508.9 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| Lipinski Rule Of 5 | False |
| Inchi | InChI=1S/C34H68O2/c1-3-5-7-9-11-13-15-17-21-25-29-33(35)31-27-23-19-20-24-28-32-34(36)30-26-22-18-16-14-12-10-8-6-4-2/h33,35H,3-32H2,1-2H3 |
| Smiles | CCCCCCCCCCCCC(CCCCCCCCC(=O)CCCCCCCCCCCC)O |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | False |
| Taxonomy Direct Parent | Fatty alcohols |
| Np Classifier Superclass | Fatty acyls |
- 1. Outgoing r'ship
FOUND_INto/from Grewia Asiatica (Plant) Rel Props:Reference:ISBN:9788172363178 - 2. Outgoing r'ship
FOUND_INto/from Scutia Myrtina (Plant) Rel Props:Reference:ISBN:9788185042084