4,4'-Dihydroxy-2,6-Dimethoxydihydrochalcone
PubChem CID: 10424988
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| Compound Synonyms | 4,4'-Dihydroxy-2,6-dimethoxydihydrochalcone, 151752-08-8, 3-(4-hydroxy-2,6-dimethoxyphenyl)-1-(4-hydroxyphenyl)propan-1-one, Loureirin E, CHEMBL400283, SCHEMBL7194539, HY-N8184, LMPK12120608, AKOS040760526, FS-7355, DA-70034, CS-0140276, E88740 |
|---|---|
| Topological Polar Surface Area | 76.0 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 337.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | n.a. |
| Iupac Name | 3-(4-hydroxy-2,6-dimethoxyphenyl)-1-(4-hydroxyphenyl)propan-1-one |
| Prediction Hob | 1.0 |
| Xlogp | 2.7 |
| Molecular Formula | C17H18O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | WRSUVSOOJHAIRI-UHFFFAOYSA-N |
| Fcsp3 | 0.2352941176470588 |
| Logs | -3.522 |
| Rotatable Bond Count | 6.0 |
| Logd | 2.94 |
| Compound Name | 4,4'-Dihydroxy-2,6-Dimethoxydihydrochalcone |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 302.115 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 302.115 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 302.32 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.441957563636364 |
| Inchi | InChI=1S/C17H18O5/c1-21-16-9-13(19)10-17(22-2)14(16)7-8-15(20)11-3-5-12(18)6-4-11/h3-6,9-10,18-19H,7-8H2,1-2H3 |
| Smiles | COC1=CC(=CC(=C1CCC(=O)C2=CC=C(C=C2)O)OC)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Dracaena Cochinchinensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Soymida Febrifuga (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all