(3E,6R,9E,11S,14R)-11-hydroxy-6,14-dimethyl-1,7-dioxacyclotetradeca-3,9-diene-2,8-dione
PubChem CID: 162958726
Connections displayed (default: 10).
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| Topological Polar Surface Area | 72.8 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 19.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 372.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 3.0 |
| Iupac Name | (3E,6R,9E,11S,14R)-11-hydroxy-6,14-dimethyl-1,7-dioxacyclotetradeca-3,9-diene-2,8-dione |
| Prediction Hob | 1.0 |
| Xlogp | 1.8 |
| Molecular Formula | C14H20O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | IEZJJGULQCCSBM-KFWZSFCCSA-N |
| Fcsp3 | 0.5714285714285714 |
| Logs | -1.865 |
| Rotatable Bond Count | 0.0 |
| Logd | 0.466 |
| Compound Name | (3E,6R,9E,11S,14R)-11-hydroxy-6,14-dimethyl-1,7-dioxacyclotetradeca-3,9-diene-2,8-dione |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 268.131 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 268.131 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 268.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 2.0 |
| Esol | -2.6564157999999995 |
| Inchi | InChI=1S/C14H20O5/c1-10-4-3-5-13(16)19-11(2)6-7-12(15)8-9-14(17)18-10/h3,5,8-12,15H,4,6-7H2,1-2H3/b5-3+,9-8+/t10-,11-,12+/m1/s1 |
| Smiles | C[C@@H]1CC[C@@H](/C=C/C(=O)O[C@@H](C/C=C/C(=O)O1)C)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 2.0 |
- 1. Outgoing r'ship
FOUND_INto/from Annona Squamosa (Plant) Rel Props:Source_db:cmaup_ingredients