Kuraridin
PubChem CID: 9954815
Connections displayed (default: 10).
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| Compound Synonyms | kuraridin, (E)-1-[2,4-dihydroxy-6-methoxy-3-(5-methyl-2-prop-1-en-2-ylhex-4-enyl)phenyl]-3-(2,4-dihydroxyphenyl)prop-2-en-1-one, 34981-25-4, SCHEMBL11582264, LMPK12120282 |
|---|---|
| Topological Polar Surface Area | 107.0 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 32.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 694.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (E)-1-[2,4-dihydroxy-6-methoxy-3-(5-methyl-2-prop-1-en-2-ylhex-4-enyl)phenyl]-3-(2,4-dihydroxyphenyl)prop-2-en-1-one |
| Prediction Hob | 0.0 |
| Xlogp | 6.5 |
| Molecular Formula | C26H30O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | PIAPWPAWQGDOMN-PKNBQFBNSA-N |
| Fcsp3 | 0.2692307692307692 |
| Logs | -3.989 |
| Rotatable Bond Count | 9.0 |
| Logd | 3.766 |
| Compound Name | Kuraridin |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 438.204 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 438.204 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 438.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -6.362524 |
| Inchi | InChI=1S/C26H30O6/c1-15(2)6-7-18(16(3)4)12-20-23(30)14-24(32-5)25(26(20)31)21(28)11-9-17-8-10-19(27)13-22(17)29/h6,8-11,13-14,18,27,29-31H,3,7,12H2,1-2,4-5H3/b11-9+ |
| Smiles | CC(=CCC(CC1=C(C(=C(C=C1O)OC)C(=O)/C=C/C2=C(C=C(C=C2)O)O)O)C(=C)C)C |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Grewia Flavescens (Plant) Rel Props:Reference: - 2. Outgoing r'ship
FOUND_INto/from Sophora Alopecuroides (Plant) Rel Props:Reference: - 3. Outgoing r'ship
FOUND_INto/from Sophora Angustifolia (Plant) Rel Props:Reference: - 4. Outgoing r'ship
FOUND_INto/from Sophora Chrysophylla (Plant) Rel Props:Reference: - 5. Outgoing r'ship
FOUND_INto/from Sophora Davidii (Plant) Rel Props:Reference: - 6. Outgoing r'ship
FOUND_INto/from Sophora Exigua (Plant) Rel Props:Reference: - 7. Outgoing r'ship
FOUND_INto/from Sophora Flavescens (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 8. Outgoing r'ship
FOUND_INto/from Sophora Franchetiana (Plant) Rel Props:Reference: - 9. Outgoing r'ship
FOUND_INto/from Sophora Glauca (Plant) Rel Props:Reference: - 10. Outgoing r'ship
FOUND_INto/from Sophora Japonica (Plant) Rel Props:Reference: - 11. Outgoing r'ship
FOUND_INto/from Sophora Leachiana (Plant) Rel Props:Reference: - 12. Outgoing r'ship
FOUND_INto/from Sophora Mollis (Plant) Rel Props:Reference: - 13. Outgoing r'ship
FOUND_INto/from Sophora Moorcroftiana (Plant) Rel Props:Reference: - 14. Outgoing r'ship
FOUND_INto/from Sophora Pachycarpa (Plant) Rel Props:Reference: - 15. Outgoing r'ship
FOUND_INto/from Sophora Secundiflora (Plant) Rel Props:Reference: - 16. Outgoing r'ship
FOUND_INto/from Sophora Tetraptera (Plant) Rel Props:Reference: - 17. Outgoing r'ship
FOUND_INto/from Sophora Tomentosa (Plant) Rel Props:Reference: - 18. Outgoing r'ship
FOUND_INto/from Sophora Tometosa (Plant) Rel Props:Reference: - 19. Outgoing r'ship
FOUND_INto/from Sophora Tonkinensis (Plant) Rel Props:Reference: - 20. Outgoing r'ship
FOUND_INto/from Sophora Velutina (Plant) Rel Props:Reference: - 21. Outgoing r'ship
FOUND_INto/from Sophora Viciifolia (Plant) Rel Props:Reference: - 22. Outgoing r'ship
FOUND_INto/from Sophora Wightii (Plant) Rel Props:Reference: - 23. Outgoing r'ship
FOUND_INto/from Xanthophyllum Flavescens (Plant) Rel Props:Reference: