Sophoranochromene
PubChem CID: 42607818
Connections displayed (default: 10).
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| Compound Synonyms | Sophoranochromene, 23057-59-2, 2-(2,2-dimethyl-8-(3-methylbut-2-enyl)chromen-6-yl)-7-hydroxy-8-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one, 2-[2,2-dimethyl-8-(3-methylbut-2-enyl)chromen-6-yl]-7-hydroxy-8-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one, LMPK12140052, [S,(-)]-2-[2,2-Dimethyl-8-(3-methyl-2-butenyl)-2H-1-benzopyran-6-yl]-2,3-dihydro-7-hydroxy-8-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one |
|---|---|
| Topological Polar Surface Area | 55.8 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 34.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 829.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-[2,2-dimethyl-8-(3-methylbut-2-enyl)chromen-6-yl]-7-hydroxy-8-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one |
| Prediction Hob | 0.0 |
| Xlogp | 7.3 |
| Molecular Formula | C30H34O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | CVRQUKAFPCFUQW-UHFFFAOYSA-N |
| Fcsp3 | 0.3666666666666666 |
| Logs | -3.471 |
| Rotatable Bond Count | 5.0 |
| Logd | 5.326 |
| Compound Name | Sophoranochromene |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 458.246 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 458.246 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 458.6 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -7.232384070588236 |
| Inchi | InChI=1S/C30H34O4/c1-18(2)7-9-20-15-22(16-21-13-14-30(5,6)34-28(20)21)27-17-26(32)24-11-12-25(31)23(29(24)33-27)10-8-19(3)4/h7-8,11-16,27,31H,9-10,17H2,1-6H3 |
| Smiles | CC(=CCC1=CC(=CC2=C1OC(C=C2)(C)C)C3CC(=O)C4=C(O3)C(=C(C=C4)O)CC=C(C)C)C |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Bursera Tonkinensis (Plant) Rel Props:Reference: - 2. Outgoing r'ship
FOUND_INto/from Carya Tonkinensis (Plant) Rel Props:Reference: - 3. Outgoing r'ship
FOUND_INto/from Croton Tonkinensis (Plant) Rel Props:Reference: - 4. Outgoing r'ship
FOUND_INto/from Cyperus Alopecuroides (Plant) Rel Props:Reference: - 5. Outgoing r'ship
FOUND_INto/from Grewia Flavescens (Plant) Rel Props:Reference: - 6. Outgoing r'ship
FOUND_INto/from Onobrychis Viciifolia (Plant) Rel Props:Reference: - 7. Outgoing r'ship
FOUND_INto/from Pterocaulon Alopecuroides (Plant) Rel Props:Reference: - 8. Outgoing r'ship
FOUND_INto/from Sophora Alopecuroides (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 9. Outgoing r'ship
FOUND_INto/from Sophora Angustifolia (Plant) Rel Props:Reference: - 10. Outgoing r'ship
FOUND_INto/from Sophora Chrysophylla (Plant) Rel Props:Reference: - 11. Outgoing r'ship
FOUND_INto/from Sophora Davidii (Plant) Rel Props:Reference: - 12. Outgoing r'ship
FOUND_INto/from Sophora Exigua (Plant) Rel Props:Reference: - 13. Outgoing r'ship
FOUND_INto/from Sophora Flavescens (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 14. Outgoing r'ship
FOUND_INto/from Sophora Franchetiana (Plant) Rel Props:Reference: - 15. Outgoing r'ship
FOUND_INto/from Sophora Glauca (Plant) Rel Props:Reference: - 16. Outgoing r'ship
FOUND_INto/from Sophora Japonica (Plant) Rel Props:Reference: - 17. Outgoing r'ship
FOUND_INto/from Sophora Leachiana (Plant) Rel Props:Reference: - 18. Outgoing r'ship
FOUND_INto/from Sophora Mollis (Plant) Rel Props:Reference: - 19. Outgoing r'ship
FOUND_INto/from Sophora Moorcroftiana (Plant) Rel Props:Reference: - 20. Outgoing r'ship
FOUND_INto/from Sophora Pachycarpa (Plant) Rel Props:Reference: - 21. Outgoing r'ship
FOUND_INto/from Sophora Secundiflora (Plant) Rel Props:Reference: - 22. Outgoing r'ship
FOUND_INto/from Sophora Tetraptera (Plant) Rel Props:Reference: - 23. Outgoing r'ship
FOUND_INto/from Sophora Tomentosa (Plant) Rel Props:Reference: - 24. Outgoing r'ship
FOUND_INto/from Sophora Tometosa (Plant) Rel Props:Reference: - 25. Outgoing r'ship
FOUND_INto/from Sophora Tonkinensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 26. Outgoing r'ship
FOUND_INto/from Sophora Velutina (Plant) Rel Props:Reference: - 27. Outgoing r'ship
FOUND_INto/from Sophora Viciifolia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 28. Outgoing r'ship
FOUND_INto/from Sophora Wightii (Plant) Rel Props:Reference: - 29. Outgoing r'ship
FOUND_INto/from Styrax Tonkinensis (Plant) Rel Props:Reference: - 30. Outgoing r'ship
FOUND_INto/from Uraria Alopecuroides (Plant) Rel Props:Reference: - 31. Outgoing r'ship
FOUND_INto/from Xanthophyllum Flavescens (Plant) Rel Props:Reference: