Glypallichalcone
PubChem CID: 5317768
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| Compound Synonyms | Glypallichalcone, 4-Hydroxy-2,4'-dimethoxychalcone, 146763-58-8, (E)-3-(4-hydroxy-2-methoxyphenyl)-1-(4-methoxyphenyl)prop-2-en-1-one, 2-Propen-1-one, 3-(4-hydroxy-2-methoxyphenyl)-1-(4-methoxyphenyl)-, (E)-, SCHEMBL26113846, CHEBI:184773, 2,4'-Dimethoxy-4-hydroxychalcone, LMPK12120432, AA-504/21106037 |
|---|---|
| Topological Polar Surface Area | 55.8 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 358.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (E)-3-(4-hydroxy-2-methoxyphenyl)-1-(4-methoxyphenyl)prop-2-en-1-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.3 |
| Molecular Formula | C17H16O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | CTBBBAQHUJVKNG-UXBLZVDNSA-N |
| Fcsp3 | 0.1176470588235294 |
| Logs | -3.954 |
| Rotatable Bond Count | 5.0 |
| Logd | 3.207 |
| Compound Name | Glypallichalcone |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 284.105 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 284.105 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 284.31 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -3.761985342857142 |
| Inchi | InChI=1S/C17H16O4/c1-20-15-8-4-12(5-9-15)16(19)10-6-13-3-7-14(18)11-17(13)21-2/h3-11,18H,1-2H3/b10-6+ |
| Smiles | COC1=CC=C(C=C1)C(=O)/C=C/C2=C(C=C(C=C2)O)OC |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Glycyrrhiza Pallidiflora (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Zingiber Officinale (Plant) Rel Props:Source_db:cmaup_ingredients