Streptoglutarimide H
PubChem CID: 145721258
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| Compound Synonyms | Streptoglutarimide H, 4-[(2R)-2-hydroxy-2-[(1S,3S,4R,5R)-4-hydroxy-3,5-dimethyl-2-oxocyclohexyl]ethyl]piperidine-2,6-dione, 4-((2R)-2-hydroxy-2-((1S,3S,4R,5R)-4-hydroxy-3,5-dimethyl-2-oxocyclohexyl)ethyl)piperidine-2,6-dione, CHEMBL4556971, CHEBI:225559 |
|---|---|
| Topological Polar Surface Area | 104.0 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 433.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 5.0 |
| Iupac Name | 4-[(2R)-2-hydroxy-2-[(1S,3S,4R,5R)-4-hydroxy-3,5-dimethyl-2-oxocyclohexyl]ethyl]piperidine-2,6-dione |
| Prediction Hob | 1.0 |
| Xlogp | -0.4 |
| Molecular Formula | C15H23NO5 |
| Prediction Swissadme | 1.0 |
| Inchi Key | JZQFWTNEUBVJCY-JDMXSVICSA-N |
| Fcsp3 | 0.8 |
| Logs | -1.262 |
| Rotatable Bond Count | 3.0 |
| Logd | -1.031 |
| Compound Name | Streptoglutarimide H |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 297.158 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 297.158 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 297.35 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 5.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.7564762 |
| Inchi | InChI=1S/C15H23NO5/c1-7-3-10(15(21)8(2)14(7)20)11(17)4-9-5-12(18)16-13(19)6-9/h7-11,14,17,20H,3-6H2,1-2H3,(H,16,18,19)/t7-,8+,10+,11-,14-/m1/s1 |
| Smiles | C[C@@H]1C[C@H](C(=O)[C@H]([C@@H]1O)C)[C@@H](CC2CC(=O)NC(=O)C2)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Aglaia Gigantea (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Andropogon Nardus (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Clibadium Pentaneuron (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Croton Californicus (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Croton Sparsiflorus (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Culcitium Canescens (Plant) Rel Props:Source_db:cmaup_ingredients - 7. Outgoing r'ship
FOUND_INto/from Dendrobium Rotundatum (Plant) Rel Props:Source_db:cmaup_ingredients - 8. Outgoing r'ship
FOUND_INto/from Eriostemon Fitzgeraldii (Plant) Rel Props:Source_db:cmaup_ingredients - 9. Outgoing r'ship
FOUND_INto/from Espeletia Marcana (Plant) Rel Props:Source_db:cmaup_ingredients - 10. Outgoing r'ship
FOUND_INto/from Malva Crispa (Plant) Rel Props:Source_db:cmaup_ingredients - 11. Outgoing r'ship
FOUND_INto/from Neoalsomitra Integrifolia (Plant) Rel Props:Source_db:cmaup_ingredients - 12. Outgoing r'ship
FOUND_INto/from Nolina Erumpens (Plant) Rel Props:Source_db:cmaup_ingredients - 13. Outgoing r'ship
FOUND_INto/from Petasites Niveus (Plant) Rel Props:Source_db:cmaup_ingredients - 14. Outgoing r'ship
FOUND_INto/from Picrorhiza Kurrooa (Plant) Rel Props:Source_db:cmaup_ingredients - 15. Outgoing r'ship
FOUND_INto/from Piptolepis Leptospermoides (Plant) Rel Props:Source_db:cmaup_ingredients - 16. Outgoing r'ship
FOUND_INto/from Ratibida Latipalearis (Plant) Rel Props:Source_db:cmaup_ingredients - 17. Outgoing r'ship
FOUND_INto/from Solanum Toxicarium (Plant) Rel Props:Source_db:cmaup_ingredients - 18. Outgoing r'ship
FOUND_INto/from Toxicodendron Succedaneum (Plant) Rel Props:Source_db:cmaup_ingredients - 19. Outgoing r'ship
FOUND_INto/from Weddellina Squamulosa (Plant) Rel Props:Source_db:cmaup_ingredients