2',7-Dihydroxy-4',5'-methylenedioxyisoflavone
PubChem CID: 23724666
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| Compound Synonyms | 2',7-Dihydroxy-4',5'-methylenedioxyisoflavone, 2-Hydroxypseudobaptigenin, 21495-84-1, IO84B9447H, UNII-IO84B9447H, 4H-1-Benzopyran-4-one, 7-hydroxy-3-(6-hydroxy-1,3-benzodioxol-5-yl)-, Isoflavone, 2',7-dihydroxy-4',5'-(methylenedioxy)-, 7-hydroxy-3-(6-hydroxy-1,3-benzodioxol-5-yl)chromen-4-one, CHEBI:80393, DTXSID90635825, 7-Hydroxy-3-(6-hydroxybenzo[d][1,3]dioxol-5-yl)-4H-chromen-4-one, 7-hydroxy-3-(6-hydroxy-2H-1,3-benzodioxol-5-yl)-4H-1-benzopyran-4-one, 7-hydroxy-3-(6-hydroxy-2H-1,3-benzodioxol-5-yl)-4H-chromen-4-one, DTXCID00586576, LMPK12050082, 7,2'-dihydroxy-4',5'-methylendioxyisoflavone, 7,2'-dihydroxy-4',5'-methylenedioxyisoflavone, Q27149420 |
|---|---|
| Topological Polar Surface Area | 85.2 |
| Hydrogen Bond Donor Count | 2.0 |
| Inchi Key | WMDDXGLVVGBJSO-UHFFFAOYSA-N |
| Rotatable Bond Count | 1.0 |
| Synonyms | 2',7-Dihydroxy-4',5'-methylenedioxyisoflavone |
| Heavy Atom Count | 22.0 |
| Compound Name | 2',7-Dihydroxy-4',5'-methylenedioxyisoflavone |
| Description | 2-hydroxypseudobaptigenin, also known as dmi or 2',7-dihydroxy-3',4'-methylenedioxyisoflavone, is a member of the class of compounds known as isoflavones. Isoflavones are polycyclic compounds containing a 2-isoflavene skeleton which bears a ketone group at the C4 carbon atom. Thus, 2-hydroxypseudobaptigenin is considered to be a flavonoid lipid molecule. 2-hydroxypseudobaptigenin is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). 2-hydroxypseudobaptigenin can be found in common pea, which makes 2-hydroxypseudobaptigenin a potential biomarker for the consumption of this food product. |
| Exact Mass | 298.048 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 298.048 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 489.0 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 298.25 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 7-hydroxy-3-(6-hydroxy-1,3-benzodioxol-5-yl)chromen-4-one |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C16H10O6/c17-8-1-2-9-13(3-8)20-6-11(16(9)19)10-4-14-15(5-12(10)18)22-7-21-14/h1-6,17-18H,7H2 |
| Smiles | C1OC2=C(O1)C=C(C(=C2)C3=COC4=C(C3=O)C=CC(=C4)O)O |
| Xlogp | 2.3 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C16H10O6 |
- 1. Outgoing r'ship
FOUND_INto/from Pisum Sativum (Plant) Rel Props:Source_db:fooddb_chem_all