Luteolin 6-C-glucoside 8-C-arabinoside
PubChem CID: 3549960
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| Compound Synonyms | Luteolin 6-C-glucoside 8-C-arabinoside, NP-006989(12), Compound NP-006989, SCHEMBL416266, AKOS040739556 |
|---|---|
| Topological Polar Surface Area | 288.0 |
| Hydrogen Bond Donor Count | 12.0 |
| Heavy Atom Count | 43.0 |
| Description | Lucenin 2 is a member of the class of compounds known as flavonoid 8-c-glycosides. Flavonoid 8-c-glycosides are compounds containing a carbohydrate moiety which is C-glycosidically linked to 8-position of a 2-phenylchromen-4-one flavonoid backbone. Lucenin 2 is soluble (in water) and a very weakly acidic compound (based on its pKa). Lucenin 2 can be found in flaxseed, which makes lucenin 2 a potential biomarker for the consumption of this food product. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 1030.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6,8-bis[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one |
| Nih Violation | True |
| Class | Flavonoids |
| Xlogp | -2.6 |
| Superclass | Phenylpropanoids and polyketides |
| Is Pains | True |
| Subclass | Flavonoid glycosides |
| Molecular Formula | C27H30O16 |
| Inchi Key | ZLPSOQFIIQIIAX-UHFFFAOYSA-N |
| Rotatable Bond Count | 5.0 |
| Synonyms | 2-(3,4-Dihydroxyphenyl)-6,8-di-b-D-glucopyranosyl-5,7-dihydroxy-4H-1-benzopyran-4-one, 9CI, 6,8-Diglucopyranosyl-3',4',5,7-tetrahydroxyflavone, 6,8-Diglucopyranosylluteolin, 6,8-Diglucosylluteolin, Luteolin 6,8-di-C-glucoside, 3-Methyl-1,4-thiazane-5-carboxylic acid-1-oxide, 5-Methyl-3-thiomorpholinecarboxylic acid 1-oxide, 9ci, Cycloallin, 5-Methyl-1-oxo-1λ⁴-thiomorpholine-3-carboxylate, Cycloalliin |
| Compound Name | Luteolin 6-C-glucoside 8-C-arabinoside |
| Kingdom | Organic compounds |
| Exact Mass | 610.153 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 610.153 |
| Hydrogen Bond Acceptor Count | 16.0 |
| Molecular Weight | 610.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 10.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Inchi | InChI=1S/C27H30O16/c28-5-12-17(33)21(37)23(39)26(42-12)15-19(35)14-10(32)4-11(7-1-2-8(30)9(31)3-7)41-25(14)16(20(15)36)27-24(40)22(38)18(34)13(6-29)43-27/h1-4,12-13,17-18,21-24,26-31,33-40H,5-6H2 |
| Smiles | C1=CC(=C(C=C1C2=CC(=O)C3=C(C(=C(C(=C3O2)C4C(C(C(C(O4)CO)O)O)O)O)C5C(C(C(C(O5)CO)O)O)O)O)O)O |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Flavonoid 8-C-glycosides |
- 1. Outgoing r'ship
FOUND_INto/from Linum Usitatissimum (Plant) Rel Props:Source_db:fooddb_chem_all