6,7,3',4'-Tetramethoxyisoflavone
PubChem CID: 631176
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| Compound Synonyms | 6,7,3',4'-Tetramethoxyisoflavone, 3',4',6,7-Tetramethoxyisoflavone, 24126-93-0, 3-(3,4-Dimethoxyphenyl)-6,7-dimethoxy-4H-chromen-4-one, 6,7-dimethoxy-3-(3,4-dimethoxyphenyl)-4h-1-benzopyran-4-one, Isoflavone, 3',4',6,7-tetramethoxy-, CHEMBL234932, SCHEMBL4844181, OYSKBZHHLYECLU-UHFFFAOYSA-N, 4H-1-Benzopyran-4-one, 3-(3,4-dimethoxyphenyl)-6,7-dimethoxy-, LMPK12050117, STL574052, AKOS024285556, 3-(3,4-Dimethoxyphenyl)-6,7-dimethoxy-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 | 504.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | n.a. |
| Iupac Name | 3-(3,4-dimethoxyphenyl)-6,7-dimethoxychromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.1 |
| Molecular Formula | C19H18O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | OYSKBZHHLYECLU-UHFFFAOYSA-N |
| Fcsp3 | 0.2105263157894736 |
| Logs | -4.139 |
| Rotatable Bond Count | 5.0 |
| Logd | 2.738 |
| Compound Name | 6,7,3',4'-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/c1-21-14-6-5-11(7-16(14)22-2)13-10-25-15-9-18(24-4)17(23-3)8-12(15)19(13)20/h5-10H,1-4H3 |
| Smiles | COC1=C(C=C(C=C1)C2=COC3=CC(=C(C=C3C2=O)OC)OC)OC |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Hibiscus Mutabilis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all