Lespeflorin G5
PubChem CID: 25227611
Connections displayed (default: 10).
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| Compound Synonyms | Lespeflorin G5, CHEBI:66567, (6aR,11aR)-8-methyl-4,10-bis(3-methylbut-2-en-1-yl)-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene-3,9-diol, CHEMBL563349, DTXSID401109174, 1108717-72-1, Q27135180, (6aR,11aR)-6a,11a-Dihydro-8-methyl-4,10-bis(3-methyl-2-buten-1-yl)-6H-benzofuro[3,2-c][1]benzopyran-3,9-diol, (6aR,11aR)-8-methyl-4,10-bis(3-methylbut-2-enyl)-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene-3,9-diol |
|---|---|
| Topological Polar Surface Area | 58.9 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 30.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 662.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (6aR,11aR)-8-methyl-4,10-bis(3-methylbut-2-enyl)-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene-3,9-diol |
| Prediction Hob | 0.0 |
| Xlogp | 6.5 |
| Molecular Formula | C26H30O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | XQHLJEHHIHCILO-LVXARBLLSA-N |
| Fcsp3 | 0.3846153846153846 |
| Logs | -2.778 |
| Rotatable Bond Count | 4.0 |
| Logd | 4.338 |
| Compound Name | Lespeflorin G5 |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 406.214 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 406.214 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 406.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -6.4874364 |
| Inchi | InChI=1S/C26H30O4/c1-14(2)6-8-17-22(27)11-10-19-24(17)29-13-21-20-12-16(5)23(28)18(9-7-15(3)4)25(20)30-26(19)21/h6-7,10-12,21,26-28H,8-9,13H2,1-5H3/t21-,26-/m0/s1 |
| Smiles | CC1=CC2=C(C(=C1O)CC=C(C)C)O[C@@H]3[C@H]2COC4=C3C=CC(=C4CC=C(C)C)O |
| Nring | 4.0 |
| 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
FOUND_INto/from Lespedeza Maximowiczi (Plant) Rel Props:Reference: - 22. Outgoing r'ship
FOUND_INto/from Lespedeza Tomentosa (Plant) Rel Props:Reference: - 23. Outgoing r'ship
FOUND_INto/from Maackia Floribunda (Plant) Rel Props:Reference: - 24. Outgoing r'ship
FOUND_INto/from Rotala Floribunda (Plant) Rel Props:Reference: - 25. Outgoing r'ship
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: