(2Z,8E,10E)-pentadeca-2,8,10-trien-4,6-diyn-1-ol
PubChem CID: 44613551
Connections displayed (default: 10).
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| Compound Synonyms | CHEMBL1092809 |
|---|---|
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 16.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 371.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (2Z,8E,10E)-pentadeca-2,8,10-trien-4,6-diyn-1-ol |
| Prediction Hob | 1.0 |
| Xlogp | 4.0 |
| Molecular Formula | C15H18O |
| Prediction Swissadme | 1.0 |
| Inchi Key | NEGOOEOCQZTKIT-INWOKVTFSA-N |
| Fcsp3 | 0.3333333333333333 |
| Logs | -3.996 |
| Rotatable Bond Count | 6.0 |
| Logd | 2.769 |
| Compound Name | (2Z,8E,10E)-pentadeca-2,8,10-trien-4,6-diyn-1-ol |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 214.136 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 214.136 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 214.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 3.0 |
| Esol | -3.3650095999999996 |
| Inchi | InChI=1S/C15H18O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16/h5-8,13-14,16H,2-4,15H2,1H3/b6-5+,8-7+,14-13- |
| Smiles | CCCC/C=C/C=C/C#CC#C/C=C\CO |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 3.0 |
- 1. Outgoing r'ship
FOUND_INto/from Bupleurum Aureum (Plant) Rel Props:Reference: - 2. Outgoing r'ship
FOUND_INto/from Bupleurum Chaishoui (Plant) Rel Props:Reference: - 3. Outgoing r'ship
FOUND_INto/from Bupleurum Chinense (Plant) Rel Props:Reference: - 4. Outgoing r'ship
FOUND_INto/from Bupleurum Falcatum (Plant) Rel Props:Reference: - 5. Outgoing r'ship
FOUND_INto/from Bupleurum Flacatum (Plant) Rel Props:Reference: - 6. Outgoing r'ship
FOUND_INto/from Bupleurum Fruticescens (Plant) Rel Props:Reference: - 7. Outgoing r'ship
FOUND_INto/from Bupleurum Fruticosum (Plant) Rel Props:Reference: - 8. Outgoing r'ship
FOUND_INto/from Bupleurum Hamiltonii (Plant) Rel Props:Reference: - 9. Outgoing r'ship
FOUND_INto/from Bupleurum Longicaule (Plant) Rel Props:Reference: - 10. Outgoing r'ship
FOUND_INto/from Bupleurum Longiradiatum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 11. Outgoing r'ship
FOUND_INto/from Bupleurum Marginatum (Plant) Rel Props:Reference: - 12. Outgoing r'ship
FOUND_INto/from Bupleurum Polyclonum (Plant) Rel Props:Reference: - 13. Outgoing r'ship
FOUND_INto/from Bupleurum Rigidum (Plant) Rel Props:Reference: - 14. Outgoing r'ship
FOUND_INto/from Bupleurum Rockii (Plant) Rel Props:Reference: - 15. Outgoing r'ship
FOUND_INto/from Bupleurum Rotundifolium (Plant) Rel Props:Reference: - 16. Outgoing r'ship
FOUND_INto/from Bupleurum Salicifolium (Plant) Rel Props:Reference: - 17. Outgoing r'ship
FOUND_INto/from Bupleurum Scorzonerifolium (Plant) Rel Props:Reference: - 18. Outgoing r'ship
FOUND_INto/from Bupleurum Sibiricum (Plant) Rel Props:Reference: - 19. Outgoing r'ship
FOUND_INto/from Bupleurum Smithii (Plant) Rel Props:Reference: