Epicatechin 5,7,3'-trimethyl ether
PubChem CID: 6482487
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| Compound Synonyms | Epicatechin 5,7,3'-trimethyl ether, 5,7,3'-tri-o-methyl (-)-epicatechin, (2R,3R)-2-(4-hydroxy-3-methoxyphenyl)-5,7-dimethoxy-3,4-dihydro-2H-chromen-3-ol, CHEMBL465960, SCHEMBL14691188, CHEBI:186007, HY-N1773, LMPK12020147, AKOS040761065, FS-9217, CS-0017628, (-)-(2r,3r)-4'-hydroxy-5,7,3'-trimethoxyflavan-3-ol, (2R,3R)-2-(4-hydroxy-3-methoxy-phenyl)-5,7-dimethoxy-chroman-3-ol, 2H-1-benzopyran-3-ol, 3,4-dihydro-2-(4-hydroxy-3-methoxyphenyl)-5,7-dimethoxy-, (2R,3R)- |
|---|---|
| Topological Polar Surface Area | 77.4 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 24.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 405.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (2R,3R)-2-(4-hydroxy-3-methoxyphenyl)-5,7-dimethoxy-3,4-dihydro-2H-chromen-3-ol |
| Prediction Hob | 1.0 |
| Xlogp | 1.3 |
| Molecular Formula | C18H20O6 |
| Prediction Swissadme | 1.0 |
| Inchi Key | IJCWCJRLHJAVFD-RDTXWAMCSA-N |
| Fcsp3 | 0.3333333333333333 |
| Logs | -4.02 |
| Rotatable Bond Count | 4.0 |
| Logd | 2.882 |
| Compound Name | Epicatechin 5,7,3'-trimethyl ether |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 332.126 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 332.126 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 332.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.850782400000001 |
| Inchi | InChI=1S/C18H20O6/c1-21-11-7-15(22-2)12-9-14(20)18(24-16(12)8-11)10-4-5-13(19)17(6-10)23-3/h4-8,14,18-20H,9H2,1-3H3/t14-,18-/m1/s1 |
| Smiles | COC1=CC2=C(C[C@H]([C@H](O2)C3=CC(=C(C=C3)O)OC)O)C(=C1)OC |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Cinnamomum Aromaticum (Plant) Rel Props:Reference: - 2. Outgoing r'ship
FOUND_INto/from Cinnamomum Bejolghota (Plant) Rel Props:Reference: - 3. Outgoing r'ship
FOUND_INto/from Cinnamomum Camphora (Plant) Rel Props:Reference: - 4. Outgoing r'ship
FOUND_INto/from Cinnamomum Cassia (Plant) Rel Props:Reference: - 5. Outgoing r'ship
FOUND_INto/from Cinnamomum Cecidodaphne (Plant) Rel Props:Reference: - 6. Outgoing r'ship
FOUND_INto/from Cinnamomum Glanduliferum (Plant) Rel Props:Reference: - 7. Outgoing r'ship
FOUND_INto/from Cinnamomum Glaucescens (Plant) Rel Props:Reference: - 8. Outgoing r'ship
FOUND_INto/from Cinnamomum Impressinervium (Plant) Rel Props:Reference: - 9. Outgoing r'ship
FOUND_INto/from Cinnamomum Japonicum (Plant) Rel Props:Reference: - 10. Outgoing r'ship
FOUND_INto/from Cinnamomum Kotoense (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 11. Outgoing r'ship
FOUND_INto/from Cinnamomum Macrocarpum (Plant) Rel Props:Reference: - 12. Outgoing r'ship
FOUND_INto/from Cinnamomum Malabathrum (Plant) Rel Props:Reference: - 13. Outgoing r'ship
FOUND_INto/from Cinnamomum Obtusifolium (Plant) Rel Props:Reference: - 14. Outgoing r'ship
FOUND_INto/from Cinnamomum Parthenoxylum (Plant) Rel Props:Reference: - 15. Outgoing r'ship
FOUND_INto/from Cinnamomum Pauciflorum (Plant) Rel Props:Reference: - 16. Outgoing r'ship
FOUND_INto/from Cinnamomum Pedunculatum (Plant) Rel Props:Reference: - 17. Outgoing r'ship
FOUND_INto/from Cinnamomum Philippinense (Plant) Rel Props:Reference: - 18. Outgoing r'ship
FOUND_INto/from Cinnamomum Porrectum (Plant) Rel Props:Reference: - 19. Outgoing r'ship
FOUND_INto/from Cinnamomum Subavenium (Plant) Rel Props:Reference: - 20. Outgoing r'ship
FOUND_INto/from Cinnamomum Sulphuratum (Plant) Rel Props:Reference: - 21. Outgoing r'ship
FOUND_INto/from Cinnamomum Tamala (Plant) Rel Props:Reference: - 22. Outgoing r'ship
FOUND_INto/from Cinnamomum Tenuifolium (Plant) Rel Props:Reference: - 23. Outgoing r'ship
FOUND_INto/from Cinnamomum Travancoricum (Plant) Rel Props:Reference: - 24. Outgoing r'ship
FOUND_INto/from Cinnamomum Verum (Plant) Rel Props:Reference: - 25. Outgoing r'ship
FOUND_INto/from Cinnamomum Wightii (Plant) Rel Props:Reference: - 26. Outgoing r'ship
FOUND_INto/from Cinnamomum Zeylanicum (Plant) Rel Props:Reference: