2',4'-Dihydroxy-4,6'-dimethoxydihydrochalcone
PubChem CID: 637162
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| Compound Synonyms | 2',4'-Dihydroxy-4,6'-dimethoxydihydrochalcone, 75679-58-2, 1-(2,4-dihydroxy-6-methoxyphenyl)-3-(4-methoxyphenyl)propan-1-one, 2,4-Dihydroxy-4,6-dimethoxydihydrochalcone, CHEMBL255287, SCHEMBL1938352, DTXSID00348414, HY-N8796, LMPK12120538, AKOS032948926, FS-10547, CS-0149089, 1-(2,4-Dihydroxy-6-methoxy-phenyl)-3-(4-methoxy-phenyl)-propan-1-one, 1-propanone, 1-(2,4-dihydroxy-6-methoxyphenyl)-3-(4-methoxyphenyl)-, InChI=1/C17H18O5/c1-21-13-6-3-11(4-7-13)5-8-14(19)17-15(20)9-12(18)10-16(17)22-2/h3-4,6-7,9-10,18,20H,5,8H2,1-2H |
|---|---|
| Topological Polar Surface Area | 76.0 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 351.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | n.a. |
| Iupac Name | 1-(2,4-dihydroxy-6-methoxyphenyl)-3-(4-methoxyphenyl)propan-1-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.3 |
| Molecular Formula | C17H18O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | SGAQUVXWXIVPKX-UHFFFAOYSA-N |
| Fcsp3 | 0.2352941176470588 |
| Logs | -3.724 |
| Rotatable Bond Count | 6.0 |
| Logd | 3.152 |
| Compound Name | 2',4'-Dihydroxy-4,6'-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 | -3.7884575636363635 |
| Inchi | InChI=1S/C17H18O5/c1-21-13-6-3-11(4-7-13)5-8-14(19)17-15(20)9-12(18)10-16(17)22-2/h3-4,6-7,9-10,18,20H,5,8H2,1-2H3 |
| Smiles | COC1=CC=C(C=C1)CCC(=O)C2=C(C=C(C=C2OC)O)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Goniothalamus Gardneri (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Iryanthera Lancifolia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all