Anacyclin
PubChem CID: 5281131
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| Compound Synonyms | Anacyclin, AC1NQY2W, C08396, (2E,4E)-N-(2-methylpropyl)tetradeca-2,4-dien-8,10-diynamide, (2E,4E)-N-(2-Methylpropyl)-2,4-tetradecadiene-8,10-diynamide, (2E,4E)-N-isobutyltetradeca-2,4-dien-8,10-diynamide, 502-57-8, CHEBI:2698, DTXSID701184838, LMFA08020165, 94413-18-0, Q27105770 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 29.1 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Np Classifier Class | Hydrocarbons |
| Deep Smiles | CCCC#CC#CCC/C=C/C=C/C=O)NCCC)C |
| Heavy Atom Count | 20.0 |
| Classyfire Class | Fatty acyls |
| Classyfire Subclass | Fatty amides |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 457.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (2E,4E)-N-(2-methylpropyl)tetradeca-2,4-dien-8,10-diynamide |
| Veber Rule | True |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 4.7 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C18H25NO |
| Inchi Key | CAZNLADLZFVEBY-SQIWNDBBSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 8.0 |
| Synonyms | anacyclin |
| Esol Class | Soluble |
| Functional Groups | C/C=C/C=C/C(=O)NC, CC#CC#CC |
| Compound Name | Anacyclin |
| Exact Mass | 271.194 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 271.194 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 271.4 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 2.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C18H25NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-18(20)19-16-17(2)3/h12-15,17H,4-5,10-11,16H2,1-3H3,(H,19,20)/b13-12+,15-14+ |
| Smiles | CCCC#CC#CCC/C=C/C=C/C(=O)NCC(C)C |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 2.0 |
| Egan Rule | True |
| Np Classifier Superclass | Fatty acyls |
- 1. Outgoing r'ship
FOUND_INto/from Achillea Millefolium (Plant) Rel Props:Reference:https://doi.org/10.2174/0929867033456729 - 2. Outgoing r'ship
FOUND_INto/from Anacyclus Pyrethrum (Plant) Rel Props:Reference:https://doi.org/10.1002/minf.201000163