6-Hydroxy-7,2'-dimethoxy-4',5'-methylenedioxyisoflavone
PubChem CID: 44257253
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| Compound Synonyms | 6-Hydroxy-7,2'-dimethoxy-4',5'-methylenedioxyisoflavone, LMPK12050123, 6-hydroxy-7-methoxy-3-(6-methoxy-1,3-benzodioxol-5-yl)chromen-4-one, 51986-37-9 |
|---|---|
| Topological Polar Surface Area | 83.5 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 25.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 548.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 6-hydroxy-7-methoxy-3-(6-methoxy-1,3-benzodioxol-5-yl)chromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 2.6 |
| Molecular Formula | C18H14O7 |
| Prediction Swissadme | 0.0 |
| Inchi Key | XYFYMIVHOFOGRO-UHFFFAOYSA-N |
| Fcsp3 | 0.1666666666666666 |
| Logs | -4.464 |
| Rotatable Bond Count | 3.0 |
| Logd | 2.815 |
| Compound Name | 6-Hydroxy-7,2'-dimethoxy-4',5'-methylenedioxyisoflavone |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 342.074 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 342.074 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 342.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.3655786 |
| Inchi | InChI=1S/C18H14O7/c1-21-13-5-17-16(24-8-25-17)4-9(13)11-7-23-14-6-15(22-2)12(19)3-10(14)18(11)20/h3-7,19H,8H2,1-2H3 |
| Smiles | COC1=CC2=C(C=C1C3=COC4=CC(=C(C=C4C3=O)O)OC)OCO2 |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Arctostaphylos Pumila (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Ulex Nanus (Plant) Rel Props:Source_db:cmaup_ingredients