Litseakolide D
PubChem CID: 10446606
Connections displayed (default: 10).
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| Compound Synonyms | Litseakolide D, CHEMBL447266, (3E,4S,5R)-3-decylidene-4-hydroxy-5-methoxy-5-methyloxolan-2-one, 386705-27-7 |
|---|---|
| Topological Polar Surface Area | 55.8 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 337.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (3E,4S,5R)-3-decylidene-4-hydroxy-5-methoxy-5-methyloxolan-2-one |
| Prediction Hob | 1.0 |
| Xlogp | 4.3 |
| Molecular Formula | C16H28O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | HYRMWBVOZFMSIF-MJTSSRLASA-N |
| Fcsp3 | 0.8125 |
| Logs | -3.391 |
| Rotatable Bond Count | 9.0 |
| Logd | 3.171 |
| Compound Name | Litseakolide D |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 284.199 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 284.199 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 284.39 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -3.7182551999999998 |
| Inchi | InChI=1S/C16H28O4/c1-4-5-6-7-8-9-10-11-12-13-14(17)16(2,19-3)20-15(13)18/h12,14,17H,4-11H2,1-3H3/b13-12+/t14-,16+/m0/s1 |
| Smiles | CCCCCCCCC/C=C/1\[C@@H]([C@](OC1=O)(C)OC)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Actinodaphne Gullavara (Plant) Rel Props:Reference: - 2. Outgoing r'ship
FOUND_INto/from Actinodaphne Hookeri (Plant) Rel Props:Reference: - 3. Outgoing r'ship
FOUND_INto/from Actinodaphne Lancifolia (Plant) Rel Props:Source_db:npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Actinodaphne Madraspatana (Plant) Rel Props:Reference: - 5. Outgoing r'ship
FOUND_INto/from Actinodaphne Obovata (Plant) Rel Props:Reference: - 6. Outgoing r'ship
FOUND_INto/from Daphne Lancifolia (Plant) Rel Props:Reference: - 7. Outgoing r'ship
FOUND_INto/from Iryanthera Lancifolia (Plant) Rel Props:Reference: - 8. Outgoing r'ship
FOUND_INto/from Litsea Aciculata (Plant) Rel Props:Reference: - 9. Outgoing r'ship
FOUND_INto/from Litsea Coriacea (Plant) Rel Props:Reference: - 10. Outgoing r'ship
FOUND_INto/from Litsea Cubeba (Plant) Rel Props:Reference: - 11. Outgoing r'ship
FOUND_INto/from Litsea Deccanensis (Plant) Rel Props:Reference: - 12. Outgoing r'ship
FOUND_INto/from Litsea Glutinosa (Plant) Rel Props:Reference: - 13. Outgoing r'ship
FOUND_INto/from Litsea Gracilipes (Plant) Rel Props:Reference: - 14. Outgoing r'ship
FOUND_INto/from Litsea Grandis (Plant) Rel Props:Reference: - 15. Outgoing r'ship
FOUND_INto/from Litsea Khasiana (Plant) Rel Props:Reference: - 16. Outgoing r'ship
FOUND_INto/from Litsea Konishii (Plant) Rel Props:Reference: - 17. Outgoing r'ship
FOUND_INto/from Litsea Lancifolia (Plant) Rel Props:Reference: - 18. Outgoing r'ship
FOUND_INto/from Litsea Laurifolia (Plant) Rel Props:Reference: - 19. Outgoing r'ship
FOUND_INto/from Litsea Leefeana (Plant) Rel Props:Reference: - 20. Outgoing r'ship
FOUND_INto/from Litsea Monopetala (Plant) Rel Props:Reference: - 21. Outgoing r'ship
FOUND_INto/from Litsea Nitida (Plant) Rel Props:Reference: - 22. Outgoing r'ship
FOUND_INto/from Litsea Polyantha (Plant) Rel Props:Reference: - 23. Outgoing r'ship
FOUND_INto/from Litsea Pulchella (Plant) Rel Props:Reference: - 24. Outgoing r'ship
FOUND_INto/from Litsea Pungens (Plant) Rel Props:Reference: - 25. Outgoing r'ship
FOUND_INto/from Litsea Rotundifolia (Plant) Rel Props:Reference: - 26. Outgoing r'ship
FOUND_INto/from Litsea Salicifolia (Plant) Rel Props:Reference: - 27. Outgoing r'ship
FOUND_INto/from Litsea Sebifera (Plant) Rel Props:Reference: - 28. Outgoing r'ship
FOUND_INto/from Litsea Stocksii (Plant) Rel Props:Reference: - 29. Outgoing r'ship
FOUND_INto/from Litsea Triflora (Plant) Rel Props:Reference: - 30. Outgoing r'ship
FOUND_INto/from Litsea Turfosa (Plant) Rel Props:Reference: - 31. Outgoing r'ship
FOUND_INto/from Litsea Verticillata (Plant) Rel Props:Reference: - 32. Outgoing r'ship
FOUND_INto/from Litsea Wightiana (Plant) Rel Props:Reference: - 33. Outgoing r'ship
FOUND_INto/from Litsea Zeylanica (Plant) Rel Props:Reference: - 34. Outgoing r'ship
FOUND_INto/from Rapanea Lancifolia (Plant) Rel Props:Reference: - 35. Outgoing r'ship
FOUND_INto/from Schisandra Lancifolia (Plant) Rel Props:Reference: - 36. Outgoing r'ship
FOUND_INto/from Symplocos Lancifolia (Plant) Rel Props:Reference: - 37. Outgoing r'ship
FOUND_INto/from Uncaria Lancifolia (Plant) Rel Props:Reference: