Lespecyrtin D1
PubChem CID: 25208603
Connections displayed (default: 10).
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| Compound Synonyms | Lespecyrtin D1, 4-((3R)-7-hydroxy-6-(3-methylbut-2-enyl)-3,4-dihydro-2H-chromen-3-yl)-6-methoxybenzene-1,3-diol, 4-[(3R)-7-hydroxy-6-(3-methylbut-2-enyl)-3,4-dihydro-2H-chromen-3-yl]-6-methoxybenzene-1,3-diol, CHEMBL554280, 1103684-05-4 |
|---|---|
| Topological Polar Surface Area | 79.2 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 26.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 489.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | 4-[(3R)-7-hydroxy-6-(3-methylbut-2-enyl)-3,4-dihydro-2H-chromen-3-yl]-6-methoxybenzene-1,3-diol |
| Prediction Hob | 1.0 |
| Xlogp | 4.5 |
| Molecular Formula | C21H24O5 |
| Prediction Swissadme | 1.0 |
| Inchi Key | ZEYGPIZPJVPIMO-HNNXBMFYSA-N |
| Fcsp3 | 0.3333333333333333 |
| Logs | -3.806 |
| Rotatable Bond Count | 4.0 |
| Logd | 3.694 |
| Compound Name | Lespecyrtin D1 |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 356.162 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 356.162 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 356.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.9686300615384615 |
| Inchi | InChI=1S/C21H24O5/c1-12(2)4-5-13-6-14-7-15(11-26-20(14)10-17(13)22)16-8-21(25-3)19(24)9-18(16)23/h4,6,8-10,15,22-24H,5,7,11H2,1-3H3/t15-/m0/s1 |
| Smiles | CC(=CCC1=C(C=C2C(=C1)C[C@@H](CO2)C3=CC(=C(C=C3O)O)OC)O)C |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Lespedeza Bicolor (Plant) Rel Props:Reference: - 2. Outgoing r'ship
FOUND_INto/from Lespedeza Cuneata (Plant) Rel Props:Reference: - 3. Outgoing r'ship
FOUND_INto/from Lespedeza Cyrtobotrya (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Lespedeza Davidii (Plant) Rel Props:Reference: - 5. Outgoing r'ship
FOUND_INto/from Lespedeza Floribunda (Plant) Rel Props:Reference: - 6. Outgoing r'ship
FOUND_INto/from Lespedeza Homoloba (Plant) Rel Props:Reference: - 7. Outgoing r'ship
FOUND_INto/from Lespedeza Juncea (Plant) Rel Props:Reference: - 8. Outgoing r'ship
FOUND_INto/from Lespedeza Maximowiczi (Plant) Rel Props:Reference: - 9. Outgoing r'ship
FOUND_INto/from Lespedeza Tomentosa (Plant) Rel Props:Reference: - 10. Outgoing r'ship
FOUND_INto/from Teucrium Alyssifolium (Plant) Rel Props:Reference: - 11. Outgoing r'ship
FOUND_INto/from Teucrium Asiaticum (Plant) Rel Props:Reference: - 12. Outgoing r'ship
FOUND_INto/from Teucrium Betonicum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 13. Outgoing r'ship
FOUND_INto/from Teucrium Bidentatum (Plant) Rel Props:Reference: - 14. Outgoing r'ship
FOUND_INto/from Teucrium Chamaedrys (Plant) Rel Props:Reference: - 15. Outgoing r'ship
FOUND_INto/from Teucrium Cossonii (Plant) Rel Props:Reference: - 16. Outgoing r'ship
FOUND_INto/from Teucrium Depressum (Plant) Rel Props:Reference: - 17. Outgoing r'ship
FOUND_INto/from Teucrium Fragile (Plant) Rel Props:Reference: - 18. Outgoing r'ship
FOUND_INto/from Teucrium Fruticans (Plant) Rel Props:Reference: - 19. Outgoing r'ship
FOUND_INto/from Teucrium Heterophyllum (Plant) Rel Props:Reference: - 20. Outgoing r'ship
FOUND_INto/from Teucrium Lanigerum (Plant) Rel Props:Reference: - 21. Outgoing r'ship
FOUND_INto/from Teucrium Leucocladum (Plant) Rel Props:Reference: - 22. Outgoing r'ship
FOUND_INto/from Teucrium Marum (Plant) Rel Props:Reference: - 23. Outgoing r'ship
FOUND_INto/from Teucrium Montanum (Plant) Rel Props:Reference: - 24. Outgoing r'ship
FOUND_INto/from Teucrium Nuchense (Plant) Rel Props:Reference: - 25. Outgoing r'ship
FOUND_INto/from Teucrium Orientale (Plant) Rel Props:Reference: - 26. Outgoing r'ship
FOUND_INto/from Teucrium Oxylepis (Plant) Rel Props:Reference: - 27. Outgoing r'ship
FOUND_INto/from Teucrium Pernyi (Plant) Rel Props:Reference: - 28. Outgoing r'ship
FOUND_INto/from Teucrium Pestalozzae (Plant) Rel Props:Reference: - 29. Outgoing r'ship
FOUND_INto/from Teucrium Pilosum (Plant) Rel Props:Reference: - 30. Outgoing r'ship
FOUND_INto/from Teucrium Polium (Plant) Rel Props:Reference: - 31. Outgoing r'ship
FOUND_INto/from Teucrium Quadrifarium (Plant) Rel Props:Reference: - 32. Outgoing r'ship
FOUND_INto/from Teucrium Scordium (Plant) Rel Props:Reference: - 33. Outgoing r'ship
FOUND_INto/from Teucrium Scorodonia (Plant) Rel Props:Reference: - 34. Outgoing r'ship
FOUND_INto/from Teucrium Viscidum (Plant) Rel Props:Reference: - 35. Outgoing r'ship
FOUND_INto/from Teucrium Yemense (Plant) Rel Props:Reference: