5,6,7,4'-Tetramethoxyflavanone
PubChem CID: 242486
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| Compound Synonyms | 2569-77-9, 5,6,7,4'-Tetramethoxyflavanone, 5,6,7-trimethoxy-2-(4-methoxyphenyl)chroman-4-one, 4',5,6,7-Tetramethoxyflavanone, NSC-51170, 4H-1-Benzopyran-4-one, 2,3-dihydro-5,6,7-trimethoxy-2-(4-methoxyphenyl)-, CHEBI:79637, 5,6,7-trimethoxy-2-(4-methoxyphenyl)-2,3-dihydrochromen-4-one, 363848FWPW, NSC51170, Flavanone, 4',5,6,7-tetramethoxy-, 2,3-Dihydro-2-(4-methoxyphenyl)-5,6,7-trimethoxy-4H-1-benzopyran-4-one, UNII-363848FWPW, NSC 51170, Carthamidin tetramethyl ether, CHEMBL520193, SCHEMBL16894640, 4',5,7,8-Tetramethoxyflavanone, AENXIAWIJGWYCP-UHFFFAOYSA-N, DTXSID601155509, LMPK12140620, 4H-1-Benzopyran-4-one,2,3-dihydro-5,6,7-trimethoxy-2-(4-methoxyphenyl)-, Q27148759, 2,3-Dihydro-5,6,7-trimethoxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one, 5,6,7-trimethoxy-2-(4-methoxyphenyl)-2,3-dihydro-4H-chromen-4-one |
|---|---|
| Topological Polar Surface Area | 63.2 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 25.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 447.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5,6,7-trimethoxy-2-(4-methoxyphenyl)-2,3-dihydrochromen-4-one |
| Nih Violation | True |
| Prediction Hob | 1.0 |
| Xlogp | 2.8 |
| Is Pains | False |
| Molecular Formula | C19H20O6 |
| Prediction Swissadme | 1.0 |
| Inchi Key | AENXIAWIJGWYCP-UHFFFAOYSA-N |
| Fcsp3 | 0.3157894736842105 |
| Rotatable Bond Count | 5.0 |
| Compound Name | 5,6,7,4'-Tetramethoxyflavanone |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 344.126 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 344.126 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 344.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.7579506000000005 |
| Inchi | InChI=1S/C19H20O6/c1-21-12-7-5-11(6-8-12)14-9-13(20)17-15(25-14)10-16(22-2)18(23-3)19(17)24-4/h5-8,10,14H,9H2,1-4H3 |
| Smiles | COC1=CC=C(C=C1)C2CC(=O)C3=C(C(=C(C=C3O2)OC)OC)OC |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Polygonum Aviculare (Plant) Rel Props:Source_db:cmaup_ingredients