Tomentodiplacone B
PubChem CID: 24861960
Connections displayed (default: 10).
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| Compound Synonyms | Tomentodiplacone B, (2S)-5,7-dihydroxy-6-[(2E,5E)-7-hydroxy-3,7-dimethylocta-2,5-dienyl]-2-(4-hydroxy-3-methoxyphenyl)-2,3-dihydrochromen-4-one, TOM B flavanone, (2S)-5,7-dihydroxy-6-((2E,5E)-7-hydroxy-3,7-dimethylocta-2,5-dienyl)-2-(4-hydroxy-3-methoxyphenyl)-2,3-dihydrochromen-4-one, CHEMBL517927, 1005765-21-8 |
|---|---|
| Topological Polar Surface Area | 116.0 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 33.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 730.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (2S)-5,7-dihydroxy-6-[(2E,5E)-7-hydroxy-3,7-dimethylocta-2,5-dienyl]-2-(4-hydroxy-3-methoxyphenyl)-2,3-dihydrochromen-4-one |
| Prediction Hob | 0.0 |
| Xlogp | 4.6 |
| Molecular Formula | C26H30O7 |
| Prediction Swissadme | 1.0 |
| Inchi Key | SHWLJHMWQFNVAC-DETBAYCCSA-N |
| Fcsp3 | 0.3461538461538461 |
| Logs | -3.684 |
| Rotatable Bond Count | 7.0 |
| Logd | 2.951 |
| Compound Name | Tomentodiplacone B |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 454.199 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 454.199 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 454.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 2.0 |
| Esol | -5.495408709090911 |
| Inchi | InChI=1S/C26H30O7/c1-15(6-5-11-26(2,3)31)7-9-17-19(28)13-23-24(25(17)30)20(29)14-21(33-23)16-8-10-18(27)22(12-16)32-4/h5,7-8,10-13,21,27-28,30-31H,6,9,14H2,1-4H3/b11-5+,15-7+/t21-/m0/s1 |
| Smiles | C/C(=C\CC1=C(C2=C(C=C1O)O[C@@H](CC2=O)C3=CC(=C(C=C3)O)OC)O)/C/C=C/C(C)(C)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 2.0 |
- 1. Outgoing r'ship
FOUND_INto/from Acacia Tomentosa (Plant) Rel Props:Reference: - 2. Outgoing r'ship
FOUND_INto/from Achyrocline Tomentosa (Plant) Rel Props:Reference: - 3. Outgoing r'ship
FOUND_INto/from Aglaia Tomentosa (Plant) Rel Props:Reference: - 4. Outgoing r'ship
FOUND_INto/from Ampelocissus Tomentosa (Plant) Rel Props:Reference: - 5. Outgoing r'ship
FOUND_INto/from Anemone Tomentosa (Plant) Rel Props:Reference: - 6. Outgoing r'ship
FOUND_INto/from Bauhinia Tomentosa (Plant) Rel Props:Reference: - 7. Outgoing r'ship
FOUND_INto/from Berlinia Tomentosa (Plant) Rel Props:Reference: - 8. Outgoing r'ship
FOUND_INto/from Bridelia Tomentosa (Plant) Rel Props:Reference: - 9. Outgoing r'ship
FOUND_INto/from Callicarpa Tomentosa (Plant) Rel Props:Reference: - 10. Outgoing r'ship
FOUND_INto/from Casearia Tomentosa (Plant) Rel Props:Reference: - 11. Outgoing r'ship
FOUND_INto/from Catunaregam Tomentosa (Plant) Rel Props:Reference: - 12. Outgoing r'ship
FOUND_INto/from Citrus Grandis (Plant) Rel Props:Reference: - 13. Outgoing r'ship
FOUND_INto/from Cyathula Tomentosa (Plant) Rel Props:Reference: - 14. Outgoing r'ship
FOUND_INto/from Dicoma Tomentosa (Plant) Rel Props:Reference: - 15. Outgoing r'ship
FOUND_INto/from Dioscorea Tomentosa (Plant) Rel Props:Reference: - 16. Outgoing r'ship
FOUND_INto/from Edgeworthia Tomentosa (Plant) Rel Props:Reference: - 17. Outgoing r'ship
FOUND_INto/from Eria Tomentosa (Plant) Rel Props:Reference: - 18. Outgoing r'ship
FOUND_INto/from Ficus Tomentosa (Plant) Rel Props:Reference: - 19. Outgoing r'ship
FOUND_INto/from Goupia Tomentosa (Plant) Rel Props:Reference: - 20. Outgoing r'ship
FOUND_INto/from Hubertia Tomentosa (Plant) Rel Props:Reference: - 21. Outgoing r'ship
FOUND_INto/from Hyptis Tomentosa (Plant) Rel Props:Reference: - 22. Outgoing r'ship
FOUND_INto/from Lespedeza Tomentosa (Plant) Rel Props:Reference: - 23. Outgoing r'ship
FOUND_INto/from Melochia Tomentosa (Plant) Rel Props:Reference: - 24. Outgoing r'ship
FOUND_INto/from Morinda Tomentosa (Plant) Rel Props:Reference: - 25. Outgoing r'ship
FOUND_INto/from Myrtus Tomentosa (Plant) Rel Props:Reference: - 26. Outgoing r'ship
FOUND_INto/from Paulownia Tomentosa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 27. Outgoing r'ship
FOUND_INto/from Pluchea Tomentosa (Plant) Rel Props:Reference: - 28. Outgoing r'ship
FOUND_INto/from Populus Tomentosa (Plant) Rel Props:Reference: - 29. Outgoing r'ship
FOUND_INto/from Premna Tomentosa (Plant) Rel Props:Reference: - 30. Outgoing r'ship
FOUND_INto/from Prunus Tomentosa (Plant) Rel Props:Reference: - 31. Outgoing r'ship
FOUND_INto/from Rhodomyrtus Tomentosa (Plant) Rel Props:Reference: - 32. Outgoing r'ship
FOUND_INto/from Salvia Tomentosa (Plant) Rel Props:Reference: - 33. Outgoing r'ship
FOUND_INto/from Sophora Tomentosa (Plant) Rel Props:Reference: - 34. Outgoing r'ship
FOUND_INto/from Sorbaria Tomentosa (Plant) Rel Props:Reference: - 35. Outgoing r'ship
FOUND_INto/from Strychnos Tomentosa (Plant) Rel Props:Reference: - 36. Outgoing r'ship
FOUND_INto/from Terminalia Tomentosa (Plant) Rel Props:Reference: - 37. Outgoing r'ship
FOUND_INto/from Tinospora Tomentosa (Plant) Rel Props:Reference: - 38. Outgoing r'ship
FOUND_INto/from Trema Tomentosa (Plant) Rel Props:Reference: - 39. Outgoing r'ship
FOUND_INto/from Uncaria Tomentosa (Plant) Rel Props:Reference: - 40. Outgoing r'ship
FOUND_INto/from Vitis Tomentosa (Plant) Rel Props:Reference: - 41. Outgoing r'ship
FOUND_INto/from Wrightia Tomentosa (Plant) Rel Props:Reference: - 42. Outgoing r'ship
FOUND_INto/from Xantolis Tomentosa (Plant) Rel Props:Reference: