7,2',4',5'-Tetramethoxyisoflavone
PubChem CID: 165203
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 7,2',4',5'-tetramethoxyisoflavone, 7-methoxy-3-(2,4,5-trimethoxyphenyl)chromen-4-one, 4253-02-5, LMPK12050091, NSC646923, CHEMBL478578, SCHEMBL4832045, 72'4'5'-Tetramethoxyisoflavone, DTXSID90195318, CHEBI:229859, LMCHYXAZXISBOS-UHFFFAOYSA-N, 7,2',4',5'-Tetramethoxyisoflavon, NSC-646923, 7,2',4',5'-Tetramethoxyl-isoflavone, NCI60_016218, 7-Methoxy-3-(2,4,5-trimethoxyphenyl)-4H-chromen-4-one #, 4H-1-Benzopyran-4-one, 7-methoxy-3-(2,4,5-trimethoxyphenyl)- |
|---|---|
| Topological Polar Surface Area | 63.2 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 25.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 504.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | n.a. |
| Iupac Name | 7-methoxy-3-(2,4,5-trimethoxyphenyl)chromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.1 |
| Molecular Formula | C19H18O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | LMCHYXAZXISBOS-UHFFFAOYSA-N |
| Fcsp3 | 0.2105263157894736 |
| Logs | -4.666 |
| Rotatable Bond Count | 5.0 |
| Logd | 2.886 |
| Compound Name | 7,2',4',5'-Tetramethoxyisoflavone |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 342.11 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 342.11 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 342.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.5425514000000007 |
| Inchi | InChI=1S/C19H18O6/c1-21-11-5-6-12-16(7-11)25-10-14(19(12)20)13-8-17(23-3)18(24-4)9-15(13)22-2/h5-10H,1-4H3 |
| Smiles | COC1=CC2=C(C=C1)C(=O)C(=CO2)C3=CC(=C(C=C3OC)OC)OC |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Amorpha Fruticosa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all