17-Hydroxy-7,9-heptadecadiene-11,13-diyn-4-one
PubChem CID: 44359771
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| Compound Synonyms | CHEMBL342676, NS00094453, 17-Hydroxy-7,9-heptadecadiene-11,13-diyn-4-one |
|---|---|
| Topological Polar Surface Area | 37.3 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 19.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 429.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | Q9ES14 |
| Iupac Name | (7E,9E)-17-hydroxyheptadeca-7,9-dien-11,13-diyn-4-one |
| Prediction Hob | 0.0 |
| Xlogp | 3.0 |
| Molecular Formula | C17H22O2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | LNUGFLAFCOXHNN-ONNLMXTPSA-N |
| Fcsp3 | 0.4705882352941176 |
| Logs | -3.504 |
| Rotatable Bond Count | 9.0 |
| Logd | 2.514 |
| Compound Name | 17-Hydroxy-7,9-heptadecadiene-11,13-diyn-4-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 258.162 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 258.162 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 258.35 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 2.0 |
| Esol | -2.8353381999999994 |
| Inchi | InChI=1S/C17H22O2/c1-2-14-17(19)15-12-10-8-6-4-3-5-7-9-11-13-16-18/h4,6,8,10,18H,2,11-16H2,1H3/b6-4+,10-8+ |
| Smiles | CCCC(=O)CC/C=C/C=C/C#CC#CCCCO |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 2.0 |
- 1. Outgoing r'ship
FOUND_INto/from Cicuta Virosa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all