Falcarindione
PubChem CID: 15559226
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| Compound Synonyms | Falcarindione, CHEBI:172499, 1,9-Heptadecadiene-4,6-diyne-3,8-dione, (9E)-HEPTADECA-1,9-DIEN-4,6-DIYNE-3,8-DIONE |
|---|---|
| Topological Polar Surface Area | 34.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 19.0 |
| Description | Isolated from roots of Carum carvi (caraway). Falcarindione is found in caraway, fats and oils, and herbs and spices. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 468.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (9E)-heptadeca-1,9-dien-4,6-diyne-3,8-dione |
| Nih Violation | True |
| Class | Organooxygen compounds |
| Xlogp | 5.4 |
| Superclass | Organic oxygen compounds |
| Is Pains | False |
| Subclass | Carbonyl compounds |
| Molecular Formula | C17H20O2 |
| Inchi Key | WFXDNWZWONCJFS-GXDHUFHOSA-N |
| Rotatable Bond Count | 9.0 |
| Synonyms | 1,9-Heptadecadiene-4,6-diyne-3,8-dione, Falcarindione |
| Compound Name | Falcarindione |
| Kingdom | Organic compounds |
| Exact Mass | 256.146 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 256.146 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 256.339 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| Inchi | InChI=1S/C17H20O2/c1-3-5-6-7-8-9-10-14-17(19)15-12-11-13-16(18)4-2/h4,10,14H,2-3,5-9H2,1H3/b14-10+ |
| Smiles | CCCCCCC/C=C/C(=O)C#CC#CC(=O)C=C |
| Defined Bond Stereocenter Count | 1.0 |
| Taxonomy Direct Parent | Enones |
- 1. Outgoing r'ship
FOUND_INto/from Carum Carvi (Plant) Rel Props:Source_db:fooddb_chem_all