2',4,4',6'-Tetramethoxychalcone
PubChem CID: 5378566
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| Compound Synonyms | 25163-67-1, 2',4,4',6'-Tetramethoxychalcone, (E)-1-(2,4,6-Trimethoxyphenyl)-3-(4-methoxyphenyl)prop-2-en-1-one, (E)-3-(4-methoxyphenyl)-1-(2,4,6-trimethoxyphenyl)prop-2-en-1-one, 2',4',6',4-Tetramethoxychalcone, 94103-36-3, 4,2 inverted exclamation marka,4 inverted exclamation marka,6 inverted exclamation marka-Tetramethoxychalcone, CHEMBL32339, JQNMAEHFTQBROH-JXMROGBWSA-N, HY-N12549, AKOS024287187, FS-7343, 4,2',4',6'-TETRAMETHOXYCHALCONE, CS-0928919, AQ-358/42003066, 3-(4-methoxyphenyl)-1-(2,4,6-trimethoxyphenyl)-2-propen-1-one, (2E)-3-(4-Methoxyphenyl)-1-(2,4,6-trimethoxyphenyl)-2-propen-1-one #, (E)-1-(2,4,6-Trimethoxyphenyl)-3-(4-methoxyphenyl)prop-2-en-1-one, AldrichCPR |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 54.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | CC(CCC1CCCCC1)C1CCCCC1 |
| Np Classifier Class | Chalcones |
| Deep Smiles | COcccccc6))/C=C/C=O)ccOC))cccc6OC))))OC |
| Heavy Atom Count | 24.0 |
| Classyfire Class | Linear 1,3-diarylpropanoids |
| Scaffold Graph Node Level | OC(CCC1CCCCC1)C1CCCCC1 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 400.0 |
| Database Name | imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | n.a. |
| Iupac Name | (E)-3-(4-methoxyphenyl)-1-(2,4,6-trimethoxyphenyl)prop-2-en-1-one |
| Veber Rule | True |
| Classyfire Superclass | Phenylpropanoids and polyketides |
| Xlogp | 3.6 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C19H20O5 |
| Scaffold Graph Node Bond Level | O=C(C=Cc1ccccc1)c1ccccc1 |
| Inchi Key | JQNMAEHFTQBROH-JXMROGBWSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 7.0 |
| Synonyms | 2',4',6',4-tetramethoxy-chalcone, 2',4',6',4-tetramethoxychalcone |
| Esol Class | Moderately soluble |
| Functional Groups | c/C=C/C(c)=O, cOC |
| Compound Name | 2',4,4',6'-Tetramethoxychalcone |
| Exact Mass | 328.131 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 328.131 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 328.4 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C19H20O5/c1-21-14-8-5-13(6-9-14)7-10-16(20)19-17(23-3)11-15(22-2)12-18(19)24-4/h5-12H,1-4H3/b10-7+ |
| Smiles | COC1=CC=C(C=C1)/C=C/C(=O)C2=C(C=C(C=C2OC)OC)OC |
| Np Classifier Biosynthetic Pathway | Shikimates and Phenylpropanoids |
| Defined Bond Stereocenter Count | 1.0 |
| Egan Rule | True |
| Np Classifier Superclass | Flavonoids |
- 1. Outgoing r'ship
FOUND_INto/from Excoecaria Agallocha (Plant) Rel Props:Reference:ISBN:9788185042114 - 2. Outgoing r'ship
FOUND_INto/from Gnaphalium Affine (Plant) Rel Props:Source_db:npass_chem_all