Metochalcone
PubChem CID: 6063342
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | Metochalcone, 18493-30-6, Metochalcon, Lesidrin, Metocalcona, Solvocolo, Trimecolo, Trimepaton, Vesidril, Vesidryl, Megalip, Spechol, Gebyl, Metochalconum, Chemicol, 2',4,4'-Trimethoxychalcone, Metochalcone [DCF:INN], Metochalcone [INN:DCF], Metocalcona [INN-Spanish], Metochalconum [INN-Latin], (E)-1-(2,4-dimethoxyphenyl)-3-(4-methoxyphenyl)prop-2-en-1-one, NSC-97905, Trimethoxy 4-2'-4' chalcone, (2E)-1-(2,4-Dimethoxyphenyl)-3-(4-methoxyphenyl)prop-2-en-1-one, UNII-1754ZE4075, Chalcone, 2',4,4'-trimethoxy-, EINECS 242-377-6, METOCHALCONE [MI], NSC 97905, METOCHALCONE [INN], 1314 CB, 1314-CB, Trimethoxy 4-2'-4' chalcone [French], METOCHALCONE [MART.], CHEMBL36584, METOCHALCONE [WHO-DD], 1754ZE4075, DTXCID7026152, DTXSID9046152, 2',4',4-TRIMETHOXYCHALCONE, NCGC00160442-01, 2-Propen-1-one, 1-(2,4-dimethoxyphenyl)-3-(4-methoxyphenyl)-, 30925-62-3, Metocalcona (INN-Spanish), Metochalconum (INN-Latin), METOCHALCONE (MART.), metocalcone, 1-(2,4-Dimethoxyphenyl)-3-(4-methoxyphenyl)-2-propen-1-one, CAS-18493-30-6, trimethoxychalcone, 2',4'-Trimethoxychalcone, MLS001049137, SCHEMBL309111, 2',4,4'-trimeth-oxychalcone, HVAKUYCEWDPRCA-IZZDOVSWSA-N, HMS2270C09, NSC97905, Tox21_111813, BDBM50107308, MFCD00048036, STL513032, AKOS001024014, Tox21_111813_1, FT67374, NCGC00160442-03, SMR000386963, NS00010317, AB00053250-08, AB00053250-10, SR-01000025297, SR-01000025297-1, Q27251868, Z46029787, 1-(2,4-Dimethoxy-phenyl)-3-(4-methoxy-phenyl)-propenone, 2-Propen-1-one,4-dimethoxyphenyl)-3-(4-methoxyphenyl)-, 4-methoxyphenyl-3-(2,4-dimethoxyphenyl)-1-oxo-2-propene, (E)-1-(2,4-Dimethoxy-phenyl)-3-(4-methoxy-phenyl)-propenone, 1-(2,4-dimethoxyphenyl)-3-(4-methoxyphenyl)-2-pro pen-1-one, 2-Propen-1-one, 1-(2,4-dimethoxyphenyl)-3-(4-methoxyphenyl)-(9CI), 2-Propen-1-one, 1-(2,4-dimethoxyphenyl)-3-(4-methoxyphenyl)-, (2E)-, (E)-1-(2'',4''-Dimethoxyphenyl)-3-(4''''-methoxyphenyl)prop-2-en-1-one, 242-377-6 |
|---|---|
| Topological Polar Surface Area | 44.8 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 371.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (E)-1-(2,4-dimethoxyphenyl)-3-(4-methoxyphenyl)prop-2-en-1-one |
| Prediction Hob | 1.0 |
| Target Id | NPT3803, NPT1422 |
| Xlogp | 3.6 |
| Molecular Formula | C18H18O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | HVAKUYCEWDPRCA-IZZDOVSWSA-N |
| Fcsp3 | 0.1666666666666666 |
| Logs | -5.377 |
| Rotatable Bond Count | 6.0 |
| Logd | 3.402 |
| Compound Name | Metochalcone |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 298.121 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 298.121 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 298.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -3.965331963636364 |
| Inchi | InChI=1S/C18H18O4/c1-20-14-7-4-13(5-8-14)6-11-17(19)16-10-9-15(21-2)12-18(16)22-3/h4-12H,1-3H3/b11-6+ |
| Smiles | COC1=CC=C(C=C1)/C=C/C(=O)C2=C(C=C(C=C2)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