Rhizobialide
PubChem CID: 49818210
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| Compound Synonyms | Rhizobialide, (5S)-5-(8-oxotetradecyl)oxolan-2-one, SCHEMBL14945357, CHEBI:200675 |
|---|---|
| Topological Polar Surface Area | 43.4 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 299.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (5S)-5-(8-oxotetradecyl)oxolan-2-one |
| Prediction Hob | 0.0 |
| Xlogp | 4.6 |
| Molecular Formula | C18H32O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | GXAQLKLMIQWKNL-KRWDZBQOSA-N |
| Fcsp3 | 0.8888888888888888 |
| Logs | -4.696 |
| Rotatable Bond Count | 13.0 |
| Logd | 4.011 |
| Compound Name | Rhizobialide |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 296.235 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 296.235 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 296.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.7494962 |
| Inchi | InChI=1S/C18H32O3/c1-2-3-4-8-11-16(19)12-9-6-5-7-10-13-17-14-15-18(20)21-17/h17H,2-15H2,1H3/t17-/m0/s1 |
| Smiles | CCCCCCC(=O)CCCCCCC[C@H]1CCC(=O)O1 |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Glycyrrhiza Uralensis (Plant) Rel Props:Source_db:cmaup_ingredients