3-(4-Methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
PubChem CID: 9905484
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| Compound Synonyms | CHEMBL227779, 3-(4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one, (E)-3-(4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one, (2E)-3-(4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one, 3',4,4',5'-Tetramethoxychalcone, SCHEMBL615819, SCHEMBL6659039, BDBM50241162, STL433606, AKOS008687415, 3'',4,4'',5''-tetramethoxychalcone, (e)-(3,4,5-trimethoxyphenyl)-3-(4-methoxyphenyl)prop-2-en-1-one, (e)-1-(4methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)prop-1-en-3-one, (e)-1-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)prop-1-en-3-one, (E)-3-(4''''-methoxyphenyl)-1-(3'',4'',5''-trimethoxyphenyl)-2-propen-1-one, (E)-3-(4''''-Methoxyphenyl)-1-(3'',4'',5''-trimethoxyphenyl)prop-2-en-1-one |
|---|---|
| Topological Polar Surface Area | 54.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 24.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 400.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (E)-3-(4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.6 |
| Molecular Formula | C19H20O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | IHAWCLXPXUOJEO-JXMROGBWSA-N |
| Fcsp3 | 0.2105263157894736 |
| Logs | -4.894 |
| Rotatable Bond Count | 7.0 |
| Logd | 3.109 |
| Compound Name | 3-(4-Methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 328.131 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 328.131 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 328.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -4.0392567999999995 |
| Inchi | InChI=1S/C19H20O5/c1-21-15-8-5-13(6-9-15)7-10-16(20)14-11-17(22-2)19(24-4)18(12-14)23-3/h5-12H,1-4H3/b10-7+ |
| Smiles | COC1=CC=C(C=C1)/C=C/C(=O)C2=CC(=C(C(=C2)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