Falcarinolone
PubChem CID: 6442185
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| Compound Synonyms | Falcarinolone, (9Z)-8-hydroxyheptadeca-1,9-dien-4,6-diyn-3-one, 18089-23-1, (Z)-8-Hydroxyheptadeca-1,9-dien-4,6-diyn-3-one, CHEBI:173841, DTXSID801237339, HY-N12952, LMFA05000659, CS-1098600, 8-Hydroxy-1,9-heptadecadien-4,6-diyn-3-one, (9Z)-8-Hydroxy-1,9-heptadecadiene-4,6-diyn-3-one, 1,9-Heptadecadiene-4,6-diyn-3-one, 8-hydroxy-, (Z)- |
|---|---|
| Ghose Rule | True |
| 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 |
| Deep Smiles | CCCCCCC/C=CCC#CC#CC=O)C=C)))))))O |
| Heavy Atom Count | 19.0 |
| Classyfire Class | Fatty acyls |
| Description | Isolated from carrot (Daucus carota) and caraway seed (Carum carvi). Falcarinolone is found in many foods, some of which are root vegetables, caraway, fats and oils, and herbs and spices. |
| Classyfire Subclass | Fatty alcohols |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 431.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (9Z)-8-hydroxyheptadeca-1,9-dien-4,6-diyn-3-one |
| Class | Fatty Acyls |
| Veber Rule | True |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 4.9 |
| Superclass | Lipids and lipid-like molecules |
| Subclass | Fatty alcohols |
| Gsk 4 400 Rule | True |
| Molecular Formula | C17H22O2 |
| Inchi Key | STNWZOBISHHDCD-UVTDQMKNSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 9.0 |
| Synonyms | (9Z)-8-hydroxyheptadeca-1,9-dien-4,6-diyn-3-one, 8-Hydroxy-1,9-heptadecadien-4,6-diyn-3-one, Falcarinolone, falcarinol-one, falcarinolone |
| Esol Class | Soluble |
| Functional Groups | C/C=CC, C=CC(=O)C#CC#CC, CO |
| Compound Name | Falcarinolone |
| Kingdom | Organic compounds |
| Exact Mass | 258.162 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 258.162 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 258.35 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 1.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C17H22O2/c1-3-5-6-7-8-9-10-14-17(19)15-12-11-13-16(18)4-2/h4,10,14,17,19H,2-3,5-9H2,1H3/b14-10- |
| Smiles | CCCCCCC/C=C\C(C#CC#CC(=O)C=C)O |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 1.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Fatty alcohols |
| Np Classifier Superclass | Fatty acyls |
- 1. Outgoing r'ship
FOUND_INto/from Carum Carvi (Plant) Rel Props:Source_db:fooddb_chem_all - 2. Outgoing r'ship
FOUND_INto/from Conium Maculatum (Plant) Rel Props:Reference:https://doi.org/10.15482/usda.adc/1239279 - 3. Outgoing r'ship
FOUND_INto/from Daucus Carota (Plant) Rel Props:Reference:https://doi.org/10.2174/0929867033456729 - 4. Outgoing r'ship
FOUND_INto/from Daucus Sativus (Plant) Rel Props:Reference:ISBN:9788172362300 - 5. Outgoing r'ship
FOUND_INto/from Opopanax Chironium (Plant) Rel Props:Reference:https://doi.org/10.15482/usda.adc/1239279