Tenuifolide A
PubChem CID: 44557419
Connections displayed (default: 10).
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| Compound Synonyms | TENUIFOLIDE A, CHEMBL1077732, (3Z,4S)-3-heptacosylidene-4-hydroxy-5-methylideneoxolan-2-one, 1187955-74-3 |
|---|---|
| Topological Polar Surface Area | 46.5 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 35.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 551.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (3Z,4S)-3-heptacosylidene-4-hydroxy-5-methylideneoxolan-2-one |
| Prediction Hob | 0.0 |
| Xlogp | 13.8 |
| Molecular Formula | C32H58O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | RXXMEENDMWGIGU-JHDDAZIHSA-N |
| Fcsp3 | 0.84375 |
| Logs | -6.689 |
| Rotatable Bond Count | 25.0 |
| Logd | 4.674 |
| Compound Name | Tenuifolide A |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 490.439 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 490.439 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 490.8 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -9.908140600000001 |
| Inchi | InChI=1S/C32H58O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-30-31(33)29(2)35-32(30)34/h28,31,33H,2-27H2,1H3/b30-28-/t31-/m1/s1 |
| Smiles | CCCCCCCCCCCCCCCCCCCCCCCCCC/C=C\1/[C@@H](C(=C)OC1=O)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Cinnamomum Aromaticum (Plant) Rel Props:Reference: - 2. Outgoing r'ship
FOUND_INto/from Cinnamomum Bejolghota (Plant) Rel Props:Reference: - 3. Outgoing r'ship
FOUND_INto/from Cinnamomum Camphora (Plant) Rel Props:Reference: - 4. Outgoing r'ship
FOUND_INto/from Cinnamomum Cassia (Plant) Rel Props:Reference: - 5. Outgoing r'ship
FOUND_INto/from Cinnamomum Cecidodaphne (Plant) Rel Props:Reference: - 6. Outgoing r'ship
FOUND_INto/from Cinnamomum Glanduliferum (Plant) Rel Props:Reference: - 7. Outgoing r'ship
FOUND_INto/from Cinnamomum Glaucescens (Plant) Rel Props:Reference: - 8. Outgoing r'ship
FOUND_INto/from Cinnamomum Impressinervium (Plant) Rel Props:Reference: - 9. Outgoing r'ship
FOUND_INto/from Cinnamomum Japonicum (Plant) Rel Props:Reference: - 10. Outgoing r'ship
FOUND_INto/from Cinnamomum Kotoense (Plant) Rel Props:Reference: - 11. Outgoing r'ship
FOUND_INto/from Cinnamomum Macrocarpum (Plant) Rel Props:Reference: - 12. Outgoing r'ship
FOUND_INto/from Cinnamomum Malabathrum (Plant) Rel Props:Reference: - 13. Outgoing r'ship
FOUND_INto/from Cinnamomum Obtusifolium (Plant) Rel Props:Reference: - 14. Outgoing r'ship
FOUND_INto/from Cinnamomum Parthenoxylum (Plant) Rel Props:Reference: - 15. Outgoing r'ship
FOUND_INto/from Cinnamomum Pauciflorum (Plant) Rel Props:Reference: - 16. Outgoing r'ship
FOUND_INto/from Cinnamomum Pedunculatum (Plant) Rel Props:Reference: - 17. Outgoing r'ship
FOUND_INto/from Cinnamomum Philippinense (Plant) Rel Props:Reference: - 18. Outgoing r'ship
FOUND_INto/from Cinnamomum Porrectum (Plant) Rel Props:Reference: - 19. Outgoing r'ship
FOUND_INto/from Cinnamomum Subavenium (Plant) Rel Props:Reference: - 20. Outgoing r'ship
FOUND_INto/from Cinnamomum Sulphuratum (Plant) Rel Props:Reference: - 21. Outgoing r'ship
FOUND_INto/from Cinnamomum Tamala (Plant) Rel Props:Reference: - 22. Outgoing r'ship
FOUND_INto/from Cinnamomum Tenuifolium (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 23. Outgoing r'ship
FOUND_INto/from Cinnamomum Travancoricum (Plant) Rel Props:Reference: - 24. Outgoing r'ship
FOUND_INto/from Cinnamomum Verum (Plant) Rel Props:Reference: - 25. Outgoing r'ship
FOUND_INto/from Cinnamomum Wightii (Plant) Rel Props:Reference: - 26. Outgoing r'ship
FOUND_INto/from Cinnamomum Zeylanicum (Plant) Rel Props:Reference: - 27. Outgoing r'ship
FOUND_INto/from Cleisostoma Tenuifolium (Plant) Rel Props:Reference: - 28. Outgoing r'ship
FOUND_INto/from Helenium Tenuifolium (Plant) Rel Props:Reference: - 29. Outgoing r'ship
FOUND_INto/from Helichrysum Tenuifolium (Plant) Rel Props:Reference: