Filfiline
PubChem CID: 131751108
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| Compound Synonyms | Filfiline, (2E,4E,10Z)-N-(2-methylpropyl)docosa-2,4,10-trienamide |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 29.1 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Np Classifier Class | N-acyl amines |
| Deep Smiles | CCCCCCCCCCC/C=CCCCC/C=CC=C/C=O)NCCC)C |
| Heavy Atom Count | 28.0 |
| Classyfire Class | Carboximidic acids and derivatives |
| Description | Constituent of the fruits of Piper officinarum (Javanese long pepper). |
| Classyfire Subclass | Carboximidic acids |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 420.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (2Z,4Z,10Z)-N-(2-methylpropyl)docosa-2,4,10-trienamide |
| Class | Carboximidic acids and derivatives |
| Veber Rule | False |
| Classyfire Superclass | Organic acids and derivatives |
| Xlogp | 10.0 |
| Superclass | Organic acids and derivatives |
| Subclass | Carboximidic acids |
| Gsk 4 400 Rule | False |
| Molecular Formula | C26H47NO |
| Inchi Key | KDMZDJSBTQFEKT-RUAVVDHUSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 19.0 |
| State | Solid |
| Synonyms | (2E,4E,10Z)-N-(2-methylpropyl)docosa-2,4,10-trienamide, Filfiline, (2E,4E,10Z)-N-(2-Methylpropyl)docosa-2,4,10-trienamide, (2Z,4Z,10Z)-N-(2-Methylpropyl)docosa-2,4,10-trienimidate, filfiline |
| Substituent Name | Organic 1,3-dipolar compound, Propargyl-type 1,3-dipolar organic compound, Carboximidic acid, Hydrocarbon derivative, Organooxygen compound, Organonitrogen compound, Aliphatic acyclic compound |
| Esol Class | Soluble |
| Functional Groups | C/C=CC, C/C=CC=C/C(=O)NC |
| Compound Name | Filfiline |
| Kingdom | Organic compounds |
| Exact Mass | 389.366 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 389.366 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 389.7 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 3.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C26H47NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-26(28)27-24-25(2)3/h14-15,20-23,25H,4-13,16-19,24H2,1-3H3,(H,27,28)/b15-14-,21-20-,23-22- |
| Smiles | CCCCCCCCCCC/C=C\CCCC/C=C\C=C/C(=O)NCC(C)C |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 3.0 |
| Egan Rule | False |
| Taxonomy Direct Parent | Carboximidic acids |
| Np Classifier Superclass | Fatty amides |
- 1. Outgoing r'ship
FOUND_INto/from Piper Retrofractum (Plant) Rel Props:Reference:ISBN:9788172363130