Sophoradin
PubChem CID: 5321393
Connections displayed (default: 10).
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| Compound Synonyms | Sophoradin, 23057-54-7, (E)-1-[2,4-dihydroxy-3-(3-methylbut-2-enyl)phenyl]-3-[4-hydroxy-3,5-bis(3-methylbut-2-enyl)phenyl]prop-2-en-1-one, GLR4RE4EBU, Chalcone, 2,4,4-trihydroxy-3,3,5-tris(3-methyl-2-butenyl)-, (2E)-1-(2,4-Dihydroxy-3-(3-methyl-2-buten-1-yl)phenyl)-3-(4-hydroxy-3,5-bis(3-methyl-2-buten-1-yl)phenyl)-2-propen-1-one, 2-Propen-1-one, 1-(2,4-dihydroxy-3-(3-methyl-2-buten-1-yl)phenyl)-3-(4-hydroxy-3,5-bis(3-methyl-2-buten-1-yl)phenyl)-, (2E)-, 2-Propen-1-one, 1-(2,4-dihydroxy-3-(3-methyl-2-butenyl)phenyl)-3-(4-hydroxy-3,5-bis(3-methyl-2-butenyl)phenyl)-, (2E)-, 2-Propen-1-one, 1-(2,4-dihydroxy-3-(3-methyl-2-butenyl)phenyl)-3-(4-hydroxy-3,5-bis(3-methyl-2-butenyl)phenyl)-, (E)-, (2E)-1-[2,4-Dihydroxy-3-(3-methyl-2-buten-1-yl)phenyl]-3-[4-hydroxy-3,5-bis(3-methyl-2-buten-1-yl)phenyl]-2-propen-1-one, (E)-1-(2,4-dihydroxy-3-(3-methylbut-2-enyl)phenyl)-3-(4-hydroxy-3,5-bis(3-methylbut-2-enyl)phenyl)prop-2-en-1-one, 1-(2,4-Dihydroxy-3-(3-methyl-2-buten-1-yl)phenyl)-3-(4-hydroxy-3,5-bis(3-methyl-2-buten-1-yl)phenyl)-2-propen-1-one, 1-[2,4-Dihydroxy-3-(3-methyl-2-buten-1-yl)phenyl]-3-[4-hydroxy-3,5-bis(3-methyl-2-buten-1-yl)phenyl]-2-propen-1-one, 2-Propen-1-one, 1-(2,4-dihydroxy-3-(3-methyl-2-buten-1-yl)phenyl)-3-(4-hydroxy-3,5-bis(3-methyl-2-buten-1-yl)phenyl)-, 2-Propen-1-one, 1-[2,4-dihydroxy-3-(3-methyl-2-buten-1-yl)phenyl]-3-[4-hydroxy-3,5-bis(3-methyl-2-buten-1-yl)phenyl]-, UNII-GLR4RE4EBU, SCHEMBL632857, CHEBI:186143, DTXSID601029516, LMPK12120050, Q7563136 |
|---|---|
| Topological Polar Surface Area | 77.8 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 34.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 748.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (E)-1-[2,4-dihydroxy-3-(3-methylbut-2-enyl)phenyl]-3-[4-hydroxy-3,5-bis(3-methylbut-2-enyl)phenyl]prop-2-en-1-one |
| Prediction Hob | 0.0 |
| Xlogp | 9.0 |
| Molecular Formula | C30H36O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | YAPAFDNQABLIIN-XNTDXEJSSA-N |
| Fcsp3 | 0.3 |
| Logs | -4.325 |
| Rotatable Bond Count | 9.0 |
| Logd | 4.569 |
| Compound Name | Sophoradin |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 460.261 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 460.261 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 460.6 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -8.007783270588238 |
| Inchi | InChI=1S/C30H36O4/c1-19(2)7-11-23-17-22(18-24(29(23)33)12-8-20(3)4)10-15-27(31)26-14-16-28(32)25(30(26)34)13-9-21(5)6/h7-10,14-18,32-34H,11-13H2,1-6H3/b15-10+ |
| Smiles | CC(=CCC1=CC(=CC(=C1O)CC=C(C)C)/C=C/C(=O)C2=C(C(=C(C=C2)O)CC=C(C)C)O)C |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 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 Sophora Alopecuroides (Plant) Rel Props:Reference: - 5. Outgoing r'ship
FOUND_INto/from Sophora Angustifolia (Plant) Rel Props:Reference: - 6. Outgoing r'ship
FOUND_INto/from Sophora Chrysophylla (Plant) Rel Props:Reference: - 7. Outgoing r'ship
FOUND_INto/from Sophora Davidii (Plant) Rel Props:Reference: - 8. Outgoing r'ship
FOUND_INto/from Sophora Exigua (Plant) Rel Props:Reference: - 9. Outgoing r'ship
FOUND_INto/from Sophora Flavescens (Plant) Rel Props:Reference: - 10. Outgoing r'ship
FOUND_INto/from Sophora Franchetiana (Plant) Rel Props:Reference: - 11. Outgoing r'ship
FOUND_INto/from Sophora Glauca (Plant) Rel Props:Reference: - 12. Outgoing r'ship
FOUND_INto/from Sophora Japonica (Plant) Rel Props:Reference: - 13. Outgoing r'ship
FOUND_INto/from Sophora Leachiana (Plant) Rel Props:Reference: - 14. Outgoing r'ship
FOUND_INto/from Sophora Mollis (Plant) Rel Props:Reference: - 15. Outgoing r'ship
FOUND_INto/from Sophora Moorcroftiana (Plant) Rel Props:Reference: - 16. Outgoing r'ship
FOUND_INto/from Sophora Pachycarpa (Plant) Rel Props:Reference: - 17. Outgoing r'ship
FOUND_INto/from Sophora Secundiflora (Plant) Rel Props:Reference: - 18. Outgoing r'ship
FOUND_INto/from Sophora Tetraptera (Plant) Rel Props:Reference: - 19. Outgoing r'ship
FOUND_INto/from Sophora Tomentosa (Plant) Rel Props:Reference: - 20. Outgoing r'ship
FOUND_INto/from Sophora Tometosa (Plant) Rel Props:Reference: - 21. Outgoing r'ship
FOUND_INto/from Sophora Tonkinensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 22. Outgoing r'ship
FOUND_INto/from Sophora Velutina (Plant) Rel Props:Reference: - 23. Outgoing r'ship
FOUND_INto/from Sophora Viciifolia (Plant) Rel Props:Reference: - 24. Outgoing r'ship
FOUND_INto/from Sophora Wightii (Plant) Rel Props:Reference: - 25. Outgoing r'ship
FOUND_INto/from Styrax Tonkinensis (Plant) Rel Props:Reference: