4-[2-[1-Hydroxy-3-(4-hydroxy-3-methoxyphenyl)propan-2-yl]oxy-1-methoxybutyl]-2,6-dimethoxyphenol
PubChem CID: 54582333
Connections displayed (default: 10).
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| Compound Synonyms | CHEMBL1761709 |
|---|---|
| Topological Polar Surface Area | 107.0 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 31.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 478.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4-[2-[1-hydroxy-3-(4-hydroxy-3-methoxyphenyl)propan-2-yl]oxy-1-methoxybutyl]-2,6-dimethoxyphenol |
| Prediction Hob | 0.0 |
| Xlogp | 3.0 |
| Molecular Formula | C23H32O8 |
| Prediction Swissadme | 0.0 |
| Inchi Key | IXDWWAKFBJRMEW-UHFFFAOYSA-N |
| Fcsp3 | 0.4782608695652174 |
| Logs | -3.822 |
| Rotatable Bond Count | 12.0 |
| Logd | 2.84 |
| Compound Name | 4-[2-[1-Hydroxy-3-(4-hydroxy-3-methoxyphenyl)propan-2-yl]oxy-1-methoxybutyl]-2,6-dimethoxyphenol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 436.21 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 436.21 |
| Hydrogen Bond Acceptor Count | 8.0 |
| Molecular Weight | 436.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.905557812903227 |
| Inchi | InChI=1S/C23H32O8/c1-6-18(23(30-5)15-11-20(28-3)22(26)21(12-15)29-4)31-16(13-24)9-14-7-8-17(25)19(10-14)27-2/h7-8,10-12,16,18,23-26H,6,9,13H2,1-5H3 |
| Smiles | CCC(C(C1=CC(=C(C(=C1)OC)O)OC)OC)OC(CC2=CC(=C(C=C2)O)OC)CO |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
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FOUND_INto/from Dipterocarpus Alatus (Plant) Rel Props:Reference: - 2. Outgoing r'ship
FOUND_INto/from Euonymus Alatus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Euonymus Atropurpurea (Plant) Rel Props:Reference: - 4. Outgoing r'ship
FOUND_INto/from Euonymus Atropurpureus (Plant) Rel Props:Reference: - 5. Outgoing r'ship
FOUND_INto/from Euonymus Carnosus (Plant) Rel Props:Reference: - 6. Outgoing r'ship
FOUND_INto/from Euonymus Crenulatus (Plant) Rel Props:Reference: - 7. Outgoing r'ship
FOUND_INto/from Euonymus Echinatus (Plant) Rel Props:Reference: - 8. Outgoing r'ship
FOUND_INto/from Euonymus Europaeus (Plant) Rel Props:Reference: - 9. Outgoing r'ship
FOUND_INto/from Euonymus Fortunei (Plant) Rel Props:Reference: - 10. Outgoing r'ship
FOUND_INto/from Euonymus Grandiflorus (Plant) Rel Props:Reference: - 11. Outgoing r'ship
FOUND_INto/from Euonymus Hamiltonianus (Plant) Rel Props:Reference: - 12. Outgoing r'ship
FOUND_INto/from Euonymus Indicus (Plant) Rel Props:Reference: - 13. Outgoing r'ship
FOUND_INto/from Euonymus Japonicus (Plant) Rel Props:Reference: - 14. Outgoing r'ship
FOUND_INto/from Euonymus Laxiflorus (Plant) Rel Props:Reference: - 15. Outgoing r'ship
FOUND_INto/from Euonymus Lucidus (Plant) Rel Props:Reference: - 16. Outgoing r'ship
FOUND_INto/from Euonymus Maackii (Plant) Rel Props:Reference: - 17. Outgoing r'ship
FOUND_INto/from Euonymus Mupinensis (Plant) Rel Props:Reference: - 18. Outgoing r'ship
FOUND_INto/from Euonymus Nanoides (Plant) Rel Props:Reference: - 19. Outgoing r'ship
FOUND_INto/from Euonymus Nanus (Plant) Rel Props:Reference: - 20. Outgoing r'ship
FOUND_INto/from Euonymus Pendulus (Plant) Rel Props:Reference: - 21. Outgoing r'ship
FOUND_INto/from Euonymus Sachalinensis (Plant) Rel Props:Reference: - 22. Outgoing r'ship
FOUND_INto/from Euonymus Seeratifolius (Plant) Rel Props:Reference: - 23. Outgoing r'ship
FOUND_INto/from Euonymus Tingens (Plant) Rel Props:Reference: - 24. Outgoing r'ship
FOUND_INto/from Tribulus Alatus (Plant) Rel Props:Reference: