2-(3,4-Dihydroxyphenyl)-5-hydroxy-7-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-2-yl]oxychromen-4-one
PubChem CID: 12315422
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| Compound Synonyms | Luteolin-7-rutinoside, SCHEMBL12939581, HMS3356K20 |
|---|---|
| Topological Polar Surface Area | 245.0 |
| Hydrogen Bond Donor Count | 9.0 |
| Inchi Key | MGYBYJXAXUBTQF-UHFFFAOYSA-N |
| Rotatable Bond Count | 6.0 |
| State | Solid |
| Synonyms | Lonicerin, Luteolin 7-neohesperidoside, Luteolin 7-O-neohesperidoside, Luteolin 7-O-rutinoside, Luteolin 7-rutinoside, Luteolin-7-O-beta-D-rutinoside, Luteolin-7-O-rhamnoside, Luteolin-7-rutinoside, Luteoline-7-rhamnoglucoside, Scolymoside, Skolimoside, Veronicastroside |
| Heavy Atom Count | 42.0 |
| Compound Name | 2-(3,4-Dihydroxyphenyl)-5-hydroxy-7-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-2-yl]oxychromen-4-one |
| Description | Isolated from Capsella bursa-pastoris (shepherd's purse) Cynara scolymus (globe artichoke) Scolymoside is a minor flavonoid found in the leaves and leaf extracts of artichoke (Cynara scolymus L.). Artichoke and artichoke leaf extracts (ALE) have a long history as a traditional part of the Mediterranean diet as well as in folk medicine for the treatment of dyspeptic disorders. Although several biol. mechanisms of action have been suggested, e.g. increased biliary secretion leading to an increased cholesterol elimination and/or inhibition of 3-hydroxy-3-methylglutaryl CoA (HMG-CoA) reductase activity resulting in a decreased cholesterol biosynthesis, convincing and conclusive human studies investigating the blood cholesterol lowering properties of artichoke or ALE are currently limited. (European Food Research and Technology (2002), 215(2), 149-157.) |
| Exact Mass | 594.158 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 594.158 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 979.0 |
| Hydrogen Bond Acceptor Count | 15.0 |
| Molecular Weight | 594.5 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(3,4-dihydroxyphenyl)-5-hydroxy-7-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-2-yl]oxychromen-4-one |
| Total Atom Stereocenter Count | 10.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C27H30O15/c1-9-20(32)22(34)24(36)26(39-9)38-8-18-21(33)23(35)25(37)27(42-18)40-11-5-14(30)19-15(31)7-16(41-17(19)6-11)10-2-3-12(28)13(29)4-10/h2-7,9,18,20-30,32-37H,8H2,1H3 |
| Smiles | CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=CC(=C4C(=C3)OC(=CC4=O)C5=CC(=C(C=C5)O)O)O)O)O)O)O)O)O |
| Xlogp | -1.1 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C27H30O15 |
- 1. Outgoing r'ship
FOUND_INto/from Citrus Limon (Plant) Rel Props:Source_db:fooddb_chem_all - 2. Outgoing r'ship
FOUND_INto/from Citrus Sinensis (Plant) Rel Props:Source_db:fooddb_chem_all - 3. Outgoing r'ship
FOUND_INto/from Mentha Aquatica (Plant) Rel Props:Source_db:fooddb_chem_all - 4. Outgoing r'ship
FOUND_INto/from Mentha Longifolia (Plant) Rel Props:Source_db:fooddb_chem_all - 5. Outgoing r'ship
FOUND_INto/from Phoenix Dactylifera (Plant) Rel Props:Source_db:fooddb_chem_all