Lespeflorin C3
PubChem CID: 25243322
Connections displayed (default: 10).
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| Compound Synonyms | Lespeflorin C3, CHEBI:66564, (2S)-2-hydroxy-1-[4-hydroxy-2-methoxy-5-(3-methylbut-2-en-1-yl)phenyl]-3-(4-hydroxyphenyl)propan-1-one, CHEMBL560625, DTXSID901112598, 1108717-59-4, Q27135177, (2S)-2-Hydroxy-1-[4-hydroxy-2-methoxy-5-(3-methyl-2-buten-1-yl)phenyl]-3-(4-hydroxyphenyl)-1-propanone, (2S)-2-hydroxy-1-[4-hydroxy-2-methoxy-5-(3-methylbut-2-enyl)phenyl]-3-(4-hydroxyphenyl)propan-1-one |
|---|---|
| Topological Polar Surface Area | 87.0 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 26.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 477.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (2S)-2-hydroxy-1-[4-hydroxy-2-methoxy-5-(3-methylbut-2-enyl)phenyl]-3-(4-hydroxyphenyl)propan-1-one |
| Prediction Hob | 1.0 |
| Xlogp | 4.1 |
| Molecular Formula | C21H24O5 |
| Prediction Swissadme | 1.0 |
| Inchi Key | XTDORSAGLFPXGX-IBGZPJMESA-N |
| Fcsp3 | 0.2857142857142857 |
| Logs | -3.698 |
| Rotatable Bond Count | 7.0 |
| Logd | 3.06 |
| Compound Name | Lespeflorin C3 |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 356.162 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 356.162 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 356.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.531230061538463 |
| Inchi | InChI=1S/C21H24O5/c1-13(2)4-7-15-11-17(20(26-3)12-18(15)23)21(25)19(24)10-14-5-8-16(22)9-6-14/h4-6,8-9,11-12,19,22-24H,7,10H2,1-3H3/t19-/m0/s1 |
| Smiles | CC(=CCC1=CC(=C(C=C1O)OC)C(=O)[C@H](CC2=CC=C(C=C2)O)O)C |
| Nring | 2.0 |
| 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: