5,6,7,8-Tetramethoxy-3',4'-methylenedioxyisoflavone
PubChem CID: 44257375
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| Compound Synonyms | 5,6,7,8-Tetramethoxy-3',4'-methylenedioxyisoflavone, CHEBI:85126, 3-(1,3-benzodioxol-5-yl)-5,6,7,8-tetramethoxy-4H-chromen-4-one, LMPK12050444, Q27158343, 3-(1,3-benzodioxol-5-yl)-5,6,7,8-tetramethoxychromen-4-one, 51986-38-0 |
|---|---|
| Topological Polar Surface Area | 81.7 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 28.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 607.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-(1,3-benzodioxol-5-yl)-5,6,7,8-tetramethoxychromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 2.9 |
| Molecular Formula | C20H18O8 |
| Prediction Swissadme | 0.0 |
| Inchi Key | HWBCSFORKNCICS-UHFFFAOYSA-N |
| Fcsp3 | 0.25 |
| Logs | -4.357 |
| Rotatable Bond Count | 5.0 |
| Logd | 2.804 |
| Compound Name | 5,6,7,8-Tetramethoxy-3',4'-methylenedioxyisoflavone |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 386.1 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 386.1 |
| Hydrogen Bond Acceptor Count | 8.0 |
| Molecular Weight | 386.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.6449643428571434 |
| Inchi | InChI=1S/C20H18O8/c1-22-16-14-15(21)11(10-5-6-12-13(7-10)28-9-27-12)8-26-17(14)19(24-3)20(25-4)18(16)23-2/h5-8H,9H2,1-4H3 |
| Smiles | COC1=C(C(=C(C2=C1C(=O)C(=CO2)C3=CC4=C(C=C3)OCO4)OC)OC)OC |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Centella Asiatica (Plant) Rel Props:Source_db:cmaup_ingredients