(2E)-1-(2,4-dimethoxyphenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
PubChem CID: 6179330
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| Compound Synonyms | 1262675-76-2, (2E)-1-(2,4-dimethoxyphenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one, (E)-1-(2,4-dimethoxyphenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one, CHEMBL597838, 2',3,4,4',5-pentamethoxychalcone, MFCD03853957, STK856963, AKOS000956173, VU0492662-1, F3139-0776, 1-(2,4-dimethoxyphenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one, 125966-75-8 |
|---|---|
| Topological Polar Surface Area | 63.2 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 26.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 451.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (E)-1-(2,4-dimethoxyphenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.5 |
| Molecular Formula | C20H22O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | MGRRLDUZDMYFMW-RMKNXTFCSA-N |
| Fcsp3 | 0.25 |
| Logs | -4.888 |
| Rotatable Bond Count | 8.0 |
| Logd | 3.125 |
| Compound Name | (2E)-1-(2,4-dimethoxyphenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 358.142 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 358.142 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 358.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -4.112056461538462 |
| Inchi | InChI=1S/C20H22O6/c1-22-14-7-8-15(17(12-14)23-2)16(21)9-6-13-10-18(24-3)20(26-5)19(11-13)25-4/h6-12H,1-5H3/b9-6+ |
| Smiles | COC1=CC(=C(C=C1)C(=O)/C=C/C2=CC(=C(C(=C2)OC)OC)OC)OC |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Spatholobus Suberectus (Plant) Rel Props:Source_db:cmaup_ingredients