Magnone A
PubChem CID: 9822388
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | MAGNONE A, (3,4-dimethoxyphenyl)-[(3R,4R,5S)-5-(3,4-dimethoxyphenyl)-4-(hydroxymethyl)oxolan-3-yl]methanone, (3,4-dimethoxyphenyl)-((3R,4R,5S)-5-(3,4-dimethoxyphenyl)-4-(hydroxymethyl)oxolan-3-yl)methanone, CHEMBL476710, SCHEMBL6155418, Tetrahydro-2-(3,4-dimethoxyphenyl)-4-(3,4-dimethoxybenzoyl)-3-(hydroxymethyl)furan, 209904-68-7 |
|---|---|
| Topological Polar Surface Area | 83.5 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 29.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 527.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 3.0 |
| Iupac Name | (3,4-dimethoxyphenyl)-[(3R,4R,5S)-5-(3,4-dimethoxyphenyl)-4-(hydroxymethyl)oxolan-3-yl]methanone |
| Prediction Hob | 1.0 |
| Xlogp | 2.2 |
| Molecular Formula | C22H26O7 |
| Prediction Swissadme | 1.0 |
| Inchi Key | PYUASVNLYYZKLA-PONJGIIJSA-N |
| Fcsp3 | 0.4090909090909091 |
| Logs | -4.478 |
| Rotatable Bond Count | 8.0 |
| Logd | 2.272 |
| Compound Name | Magnone A |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 402.168 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 402.168 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 402.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.493053496551725 |
| Inchi | InChI=1S/C22H26O7/c1-25-17-7-5-13(9-19(17)27-3)21(24)16-12-29-22(15(16)11-23)14-6-8-18(26-2)20(10-14)28-4/h5-10,15-16,22-23H,11-12H2,1-4H3/t15-,16-,22+/m0/s1 |
| Smiles | COC1=C(C=C(C=C1)[C@@H]2[C@H]([C@H](CO2)C(=O)C3=CC(=C(C=C3)OC)OC)CO)OC |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Aralia Fargesii (Plant) Rel Props:Reference: - 2. Outgoing r'ship
FOUND_INto/from Decaisnea Fargesii (Plant) Rel Props:Reference: - 3. Outgoing r'ship
FOUND_INto/from Magnolia Acuminata (Plant) Rel Props:Reference: - 4. Outgoing r'ship
FOUND_INto/from Magnolia Biloba (Plant) Rel Props:Reference: - 5. Outgoing r'ship
FOUND_INto/from Magnolia Biondii (Plant) Rel Props:Reference: - 6. Outgoing r'ship
FOUND_INto/from Magnolia Cathcartii (Plant) Rel Props:Reference: - 7. Outgoing r'ship
FOUND_INto/from Magnolia Champaca (Plant) Rel Props:Reference: - 8. Outgoing r'ship
FOUND_INto/from Magnolia Coco (Plant) Rel Props:Reference: - 9. Outgoing r'ship
FOUND_INto/from Magnolia Denudata (Plant) Rel Props:Reference: - 10. Outgoing r'ship
FOUND_INto/from Magnolia Doltsopa (Plant) Rel Props:Reference: - 11. Outgoing r'ship
FOUND_INto/from Magnolia Fargesii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 12. Outgoing r'ship
FOUND_INto/from Magnolia Figo (Plant) Rel Props:Reference: - 13. Outgoing r'ship
FOUND_INto/from Magnolia Fraseri (Plant) Rel Props:Reference: - 14. Outgoing r'ship
FOUND_INto/from Magnolia Grandiflora (Plant) Rel Props:Reference: - 15. Outgoing r'ship
FOUND_INto/from Magnolia Henryi (Plant) Rel Props:Reference: - 16. Outgoing r'ship
FOUND_INto/from Magnolia Kingii (Plant) Rel Props:Reference: - 17. Outgoing r'ship
FOUND_INto/from Magnolia Kobus (Plant) Rel Props:Reference: - 18. Outgoing r'ship
FOUND_INto/from Magnolia Lanuginosa (Plant) Rel Props:Reference: - 19. Outgoing r'ship
FOUND_INto/from Magnolia Lilifera (Plant) Rel Props:Reference: - 20. Outgoing r'ship
FOUND_INto/from Magnolia Liliflora (Plant) Rel Props:Reference: - 21. Outgoing r'ship
FOUND_INto/from Magnolia Liliiflora (Plant) Rel Props:Reference: - 22. Outgoing r'ship
FOUND_INto/from Magnolia Montana (Plant) Rel Props:Reference: - 23. Outgoing r'ship
FOUND_INto/from Magnolia Mutabilis (Plant) Rel Props:Reference: - 24. Outgoing r'ship
FOUND_INto/from Magnolia Obovata (Plant) Rel Props:Reference: - 25. Outgoing r'ship
FOUND_INto/from Magnolia Officinalis (Plant) Rel Props:Reference: - 26. Outgoing r'ship
FOUND_INto/from Magnolia Ovata (Plant) Rel Props:Reference: - 27. Outgoing r'ship
FOUND_INto/from Magnolia Praecocissima (Plant) Rel Props:Reference: - 28. Outgoing r'ship
FOUND_INto/from Magnolia Pterocarpa (Plant) Rel Props:Reference: - 29. Outgoing r'ship
FOUND_INto/from Magnolia Rostrata (Plant) Rel Props:Reference: - 30. Outgoing r'ship
FOUND_INto/from Magnolia Salicifolia (Plant) Rel Props:Reference: - 31. Outgoing r'ship
FOUND_INto/from Magnolia Sieboldii (Plant) Rel Props:Reference: - 32. Outgoing r'ship
FOUND_INto/from Magnolia Sprengeri (Plant) Rel Props:Reference: - 33. Outgoing r'ship
FOUND_INto/from Magnolia Stellata (Plant) Rel Props:Reference: - 34. Outgoing r'ship
FOUND_INto/from Torreya Fargesii (Plant) Rel Props:Reference: