Uncinine
PubChem CID: 10466079
Connections displayed (default: 10).
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| Compound Synonyms | Uncinine, CHEMBL502212, HREXWSQKOMIFNV-UHFFFAOYSA-, 1-[(2-oxo-5-propan-2-ylidenefuran-3-yl)methyl]pyrrolidin-2-one, InChI=1/C12H15NO3/c1-8(2)10-6-9(12(15)16-10)7-13-5-3-4-11(13)14/h6H,3-5,7H2,1-2H3 |
|---|---|
| Topological Polar Surface Area | 46.6 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 16.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 402.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | n.a. |
| Iupac Name | 1-[(2-oxo-5-propan-2-ylidenefuran-3-yl)methyl]pyrrolidin-2-one |
| Prediction Hob | 1.0 |
| Xlogp | 1.1 |
| Molecular Formula | C12H15NO3 |
| Prediction Swissadme | 1.0 |
| Inchi Key | HREXWSQKOMIFNV-UHFFFAOYSA-N |
| Fcsp3 | 0.5 |
| Logs | -1.235 |
| Rotatable Bond Count | 2.0 |
| Logd | 1.691 |
| Compound Name | Uncinine |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 221.105 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 221.105 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 221.25 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.7601871999999998 |
| Inchi | InChI=1S/C12H15NO3/c1-8(2)10-6-9(12(15)16-10)7-13-5-3-4-11(13)14/h6H,3-5,7H2,1-2H3 |
| Smiles | CC(=C1C=C(C(=O)O1)CN2CCCC2=O)C |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Annona Atemoya (Plant) Rel Props:Reference: - 2. Outgoing r'ship
FOUND_INto/from Annona Bullata (Plant) Rel Props:Reference: - 3. Outgoing r'ship
FOUND_INto/from Annona Cherimola (Plant) Rel Props:Reference: - 4. Outgoing r'ship
FOUND_INto/from Annona Cherimolia (Plant) Rel Props:Reference: - 5. Outgoing r'ship
FOUND_INto/from Annona Cornifolia (Plant) Rel Props:Reference: - 6. Outgoing r'ship
FOUND_INto/from Annona Glabra (Plant) Rel Props:Reference: - 7. Outgoing r'ship
FOUND_INto/from Annona Haematantha (Plant) Rel Props:Reference: - 8. Outgoing r'ship
FOUND_INto/from Annona Impressivenia (Plant) Rel Props:Reference: - 9. Outgoing r'ship
FOUND_INto/from Annona Montana (Plant) Rel Props:Reference: - 10. Outgoing r'ship
FOUND_INto/from Annona Muricata (Plant) Rel Props:Reference: - 11. Outgoing r'ship
FOUND_INto/from Annona Purpurea (Plant) Rel Props:Reference: - 12. Outgoing r'ship
FOUND_INto/from Annona Rensoniana (Plant) Rel Props:Reference: - 13. Outgoing r'ship
FOUND_INto/from Annona Reticulata (Plant) Rel Props:Reference: - 14. Outgoing r'ship
FOUND_INto/from Annona Spinescens (Plant) Rel Props:Reference: - 15. Outgoing r'ship
FOUND_INto/from Annona Squamosa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 16. Outgoing r'ship
FOUND_INto/from Annona Stenophylla (Plant) Rel Props:Reference: - 17. Outgoing r'ship
FOUND_INto/from Artabotrys Hexapetalus (Plant) Rel Props:Reference: - 18. Outgoing r'ship
FOUND_INto/from Artabotrys Maingayi (Plant) Rel Props:Reference: - 19. Outgoing r'ship
FOUND_INto/from Artabotrys Odoratissimus (Plant) Rel Props:Reference: - 20. Outgoing r'ship
FOUND_INto/from Artabotrys Uncinatus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 21. Outgoing r'ship
FOUND_INto/from Artabotrys Venustus (Plant) Rel Props:Reference: