Flavone base + 3O, 1MeO, C-Hex-FeruloylHex
PubChem CID: 131752376
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | Flavone base + 3O, 1MeO, C-Hex-FeruloylHex |
|---|---|
| Topological Polar Surface Area | 301.0 |
| Hydrogen Bond Donor Count | 10.0 |
| Inchi Key | DJZOTDSGEBENPL-XBXARRHUSA-N |
| Rotatable Bond Count | 12.0 |
| Synonyms | Isoscoparin 2''-(6-(E)-feruloylglucoside), Isoscoparin 2''-(6-(E)-ferulylglucoside) |
| Heavy Atom Count | 57.0 |
| Compound Name | Flavone base + 3O, 1MeO, C-Hex-FeruloylHex |
| Description | Isolated from rice. Isoscoparin 2''-(6-(E)-feruloylglucoside) is found in cereals and cereal products and rice. |
| Exact Mass | 800.216 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 800.216 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 1430.0 |
| Hydrogen Bond Acceptor Count | 19.0 |
| Molecular Weight | 800.7 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | [6-[2-[5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxochromen-6-yl]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate |
| Total Atom Stereocenter Count | 10.0 |
| Total Bond Stereocenter Count | 1.0 |
| Inchi | InChI=1S/C38H40O19/c1-51-22-9-15(3-6-17(22)40)4-8-27(44)53-14-26-31(46)33(48)35(50)38(56-26)57-37-34(49)30(45)25(13-39)55-36(37)29-20(43)12-24-28(32(29)47)19(42)11-21(54-24)16-5-7-18(41)23(10-16)52-2/h3-12,25-26,30-31,33-41,43,45-50H,13-14H2,1-2H3/b8-4+ |
| Smiles | COC1=C(C=CC(=C1)/C=C/C(=O)OCC2C(C(C(C(O2)OC3C(C(C(OC3C4=C(C5=C(C=C4O)OC(=CC5=O)C6=CC(=C(C=C6)O)OC)O)CO)O)O)O)O)O)O |
| Xlogp | 0.3 |
| Defined Bond Stereocenter Count | 1.0 |
| Molecular Formula | C38H40O19 |
- 1. Outgoing r'ship
FOUND_INto/from Oryza Sativa (Plant) Rel Props:Source_db:fooddb_chem_all