Panaxjapyne A
PubChem CID: 91692598
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | Panaxjapyne A, (S,Z)-Heptadeca-9-en-4,6-diyn-3-ol, 9-Heptadecene-4,6-diyn-3-ol, (3S,9Z)- |
|---|---|
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 18.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 339.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (Z)-heptadec-9-en-4,6-diyn-3-ol |
| Prediction Hob | 1.0 |
| Xlogp | 5.6 |
| Molecular Formula | C17H26O |
| Prediction Swissadme | 0.0 |
| Inchi Key | PROIGOAKZLZHQV-KHPPLWFESA-N |
| Fcsp3 | 0.6470588235294118 |
| Logs | -3.97 |
| Rotatable Bond Count | 9.0 |
| Logd | 4.314 |
| Compound Name | Panaxjapyne A |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 246.198 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 246.198 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 246.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -4.3487428 |
| Inchi | InChI=1S/C17H26O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17(18)4-2/h10-11,17-18H,3-9,12H2,1-2H3/b11-10- |
| Smiles | CCCCCCC/C=C\CC#CC#CC(CC)O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Panax Japonicus (Plant) Rel Props:Source_db:cmaup_ingredients