(5E,7E,9E)-17-hydroxyheptadeca-5,7,9-trien-11,13-diyn-4-one
PubChem CID: 10824982
Connections displayed (default: 10).
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| Compound Synonyms | CHEMBL421759 |
|---|---|
| Topological Polar Surface Area | 37.3 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 19.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 466.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | Q9ES14 |
| Iupac Name | (5E,7E,9E)-17-hydroxyheptadeca-5,7,9-trien-11,13-diyn-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.2 |
| Molecular Formula | C17H20O2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | APVCOKXFZCKIQG-YNQQSWPQSA-N |
| Fcsp3 | 0.3529411764705882 |
| Logs | -4.34 |
| Rotatable Bond Count | 8.0 |
| Logd | 2.566 |
| Compound Name | (5E,7E,9E)-17-hydroxyheptadeca-5,7,9-trien-11,13-diyn-4-one |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 256.146 |
| Formal Charge | 0.0 |
| 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 | 3.0 |
| Esol | -3.0085389999999994 |
| Inchi | InChI=1S/C17H20O2/c1-2-14-17(19)15-12-10-8-6-4-3-5-7-9-11-13-16-18/h4,6,8,10,12,15,18H,2,11,13-14,16H2,1H3/b6-4+,10-8+,15-12+ |
| Smiles | CCCC(=O)/C=C/C=C/C=C/C#CC#CCCCO |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 3.0 |
- 1. Outgoing r'ship
FOUND_INto/from Canavalia Virosa (Plant) Rel Props:Reference: - 2. Outgoing r'ship
FOUND_INto/from Cicuta Virosa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Corymbia Maculata (Plant) Rel Props:Reference: - 4. Outgoing r'ship
FOUND_INto/from Euphorbia Maculata (Plant) Rel Props:Reference: - 5. Outgoing r'ship
FOUND_INto/from Fluegga Virosa (Plant) Rel Props:Reference: - 6. Outgoing r'ship
FOUND_INto/from Flueggea Virosa (Plant) Rel Props:Reference: - 7. Outgoing r'ship
FOUND_INto/from Lactuca Virosa (Plant) Rel Props:Reference: - 8. Outgoing r'ship
FOUND_INto/from Pleione Maculata (Plant) Rel Props:Reference: