Lespeflorin F2
PubChem CID: 25243079
Connections displayed (default: 10).
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| Compound Synonyms | Lespeflorin F2, 4-(6-hydroxy-3-(hydroxymethyl)-5-methoxy-7-(3-methylbut-2-enyl)-1-benzofuran-2-yl)benzene-1,3-diol, 4-[6-hydroxy-3-(hydroxymethyl)-5-methoxy-7-(3-methylbut-2-enyl)-1-benzofuran-2-yl]benzene-1,3-diol, CHEMBL560442 |
|---|---|
| Topological Polar Surface Area | 103.0 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 27.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 519.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4-[6-hydroxy-3-(hydroxymethyl)-5-methoxy-7-(3-methylbut-2-enyl)-1-benzofuran-2-yl]benzene-1,3-diol |
| Prediction Hob | 1.0 |
| Xlogp | 3.9 |
| Molecular Formula | C21H22O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | CKVPUAIEQLSMGP-UHFFFAOYSA-N |
| Fcsp3 | 0.238095238095238 |
| Logs | -3.544 |
| Rotatable Bond Count | 5.0 |
| Logd | 3.157 |
| Compound Name | Lespeflorin F2 |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 370.142 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 370.142 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 370.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.693497311111112 |
| Inchi | InChI=1S/C21H22O6/c1-11(2)4-6-14-19(25)18(26-3)9-15-16(10-22)20(27-21(14)15)13-7-5-12(23)8-17(13)24/h4-5,7-9,22-25H,6,10H2,1-3H3 |
| Smiles | CC(=CCC1=C2C(=CC(=C1O)OC)C(=C(O2)C3=C(C=C(C=C3)O)O)CO)C |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Alchornea Floribunda (Plant) Rel Props:Reference: - 2. Outgoing r'ship
FOUND_INto/from Berberis Floribunda (Plant) Rel Props:Reference: - 3. Outgoing r'ship
FOUND_INto/from Berchemia Floribunda (Plant) Rel Props:Reference: - 4. Outgoing r'ship
FOUND_INto/from Bulbinella Floribunda (Plant) Rel Props:Reference: - 5. Outgoing r'ship
FOUND_INto/from Calycopteris Floribunda (Plant) Rel Props:Reference: - 6. Outgoing r'ship
FOUND_INto/from Cycopteris Floribunda (Plant) Rel Props:Reference: - 7. Outgoing r'ship
FOUND_INto/from Dioscorea Floribunda (Plant) Rel Props:Reference: - 8. Outgoing r'ship
FOUND_INto/from Eria Floribunda (Plant) Rel Props:Reference: - 9. Outgoing r'ship
FOUND_INto/from Fraxinus Floribunda (Plant) Rel Props:Reference: - 10. Outgoing r'ship
FOUND_INto/from Getonia Floribunda (Plant) Rel Props:Reference: - 11. Outgoing r'ship
FOUND_INto/from Holarrhena Floribunda (Plant) Rel Props:Reference: - 12. Outgoing r'ship
FOUND_INto/from Hortonia Floribunda (Plant) Rel Props:Reference: - 13. Outgoing r'ship
FOUND_INto/from Ledebouria Floribunda (Plant) Rel Props:Reference: - 14. Outgoing r'ship
FOUND_INto/from Lespedeza Bicolor (Plant) Rel Props:Reference: - 15. Outgoing r'ship
FOUND_INto/from Lespedeza Cuneata (Plant) Rel Props:Reference: - 16. Outgoing r'ship
FOUND_INto/from Lespedeza Cyrtobotrya (Plant) Rel Props:Reference: - 17. Outgoing r'ship
FOUND_INto/from Lespedeza Davidii (Plant) Rel Props:Reference: - 18. Outgoing r'ship
FOUND_INto/from Lespedeza Floribunda (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 19. Outgoing r'ship
FOUND_INto/from Lespedeza Homoloba (Plant) Rel Props:Reference: - 20. Outgoing r'ship
FOUND_INto/from Lespedeza Juncea (Plant) Rel Props:Reference: - 21. Outgoing r'ship
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FOUND_INto/from Maackia Floribunda (Plant) Rel Props:Reference: - 24. Outgoing r'ship
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FOUND_INto/from Senna Floribunda (Plant) Rel Props:Reference: - 26. Outgoing r'ship
FOUND_INto/from Toddalia Floribunda (Plant) Rel Props:Reference: - 27. Outgoing r'ship
FOUND_INto/from Turraea Floribunda (Plant) Rel Props:Reference: - 28. Outgoing r'ship
FOUND_INto/from Tylophora Floribunda (Plant) Rel Props:Reference: - 29. Outgoing r'ship
FOUND_INto/from Wisteria Floribunda (Plant) Rel Props:Reference: - 30. Outgoing r'ship
FOUND_INto/from Woodfordia Floribunda (Plant) Rel Props:Reference: