Flavone base + 4O, O-MalonylHex
PubChem CID: 5858132
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| Compound Synonyms | Flavone base + 4O, O-MalonylHex, Luteolin 7-(6''-malonylglucoside) |
|---|---|
| Topological Polar Surface Area | 230.0 |
| Hydrogen Bond Donor Count | 7.0 |
| Inchi Key | RNDGJCZQVKFBPI-UHFFFAOYSA-N |
| Rotatable Bond Count | 8.0 |
| Synonyms | 3',4',5,7-Tetrahydroxyflavone 7-O-(6-O-malonyl-b-D-glucopyranoside), Luteolin 7-(6-malonylglucoside), Luteolin 7-(6''-malonylglucoside), Luteolin 7-O-(6-malonyl-beta-D-glucoside), Luteolin 7-O-(6-O-malonyl-b-D-glucopyranoside), Luteolin 7-O-(6''-malonylglucoside), 3-[(6-{[2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-4H-chromen-7-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methoxy]-3-oxopropanoate |
| Heavy Atom Count | 38.0 |
| Compound Name | Flavone base + 4O, O-MalonylHex |
| Kingdom | Organic compounds |
| Description | Luteolin 7-(6''-malonylglucoside) is a member of the class of compounds known as flavonoid-7-o-glycosides. Flavonoid-7-o-glycosides are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to carbohydrate moiety at the C7-position. Luteolin 7-(6''-malonylglucoside) is practically insoluble (in water) and a weakly acidic compound (based on its pKa). Luteolin 7-(6''-malonylglucoside) can be found in carrot and wild carrot, which makes luteolin 7-(6''-malonylglucoside) a potential biomarker for the consumption of these food products. |
| Exact Mass | 534.101 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 534.101 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 922.0 |
| Hydrogen Bond Acceptor Count | 14.0 |
| Molecular Weight | 534.4 |
| Database Name | fooddb_chem_all;hmdb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-[[6-[2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxochromen-7-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-3-oxopropanoic acid |
| Total Atom Stereocenter Count | 5.0 |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Total Bond Stereocenter Count | 0.0 |
| Class | Flavonoids |
| Inchi | InChI=1S/C24H22O14/c25-11-2-1-9(3-12(11)26)15-6-14(28)20-13(27)4-10(5-16(20)37-15)36-24-23(34)22(33)21(32)17(38-24)8-35-19(31)7-18(29)30/h1-6,17,21-27,32-34H,7-8H2,(H,29,30) |
| Smiles | C1=CC(=C(C=C1C2=CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)COC(=O)CC(=O)O)O)O)O)O)O)O |
| Xlogp | 0.2 |
| Superclass | Phenylpropanoids and polyketides |
| Defined Bond Stereocenter Count | 0.0 |
| Subclass | Flavonoid glycosides |
| Taxonomy Direct Parent | Flavonoid-7-O-glycosides |
| Molecular Formula | C24H22O14 |
- 1. Outgoing r'ship
FOUND_INto/from Daucus Carota (Plant) Rel Props:Source_db:fooddb_chem_all