Leukoefdin
PubChem CID: 3081374
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| Compound Synonyms | Leukoefdin, Leukoephdin, 491-52-1, Leucodelphinidin, Leucoefdin, Leucoephdine, Leucoanthocyanidin, flavan-3,3',4,4',5,5',7-heptol, 2-(3,4,5-Trihydroxyphenyl)chromane-3,4,5,7-tetraol, CHEBI:71216, 2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromene-3,4,5,7-tetrol, 12764-74-8, 3,4,5,7,3',4',5'-heptahydroxyflavan, 2-(3,4,5-trihydroxyphenyl)chroman-3,4,5,7-tetrol, SCHEMBL15544180, DTXSID80925924, ZEACOKJOQLAYTD-UHFFFAOYSA-N, 5,7,3',4',5'-Pentahydroxyflavan-3,4-diol, Q27139451, (2s,3s,4r)-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2h-1-benzopyran-3,4,5,7-tetrol, 2H-1-Benzopyran-3,4,5,7-tetrol, 3,4-dihydro-2-(3,4,5-trihydroxyphenyl)- (VAN) |
|---|---|
| Topological Polar Surface Area | 151.0 |
| Hydrogen Bond Donor Count | 7.0 |
| Inchi Key | ZEACOKJOQLAYTD-UHFFFAOYSA-N |
| Rotatable Bond Count | 1.0 |
| Synonyms | 3,3',4,4',5,5',7-Flavanheptol, 8CI, 3,3',4,4',5,5',7-Heptahydroxyflavan, 3,4-Dihydro-2-(3,4,5-trihydroxyphenyl)-2H-1-benzopyran-3,4,5,7-tetrol, 9CI, Leucodelphinidin |
| Heavy Atom Count | 23.0 |
| Compound Name | Leukoefdin |
| Description | Leucodelphinidin, also known as leucoefdin or 3,4,5,7,3',4',5'-heptahydroxyflavan, is a member of the class of compounds known as epigallocatechins. Epigallocatechins are compounds containing epigallocatechin or a derivative. Epigallocatechin is a flavan-3-ol containing a benzopyran-3,5,7-triol linked to a 3,4,5-hydroxyphenyl moiety. Leucodelphinidin is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Leucodelphinidin can be found in a number of food items such as black mulberry, sunburst squash (pattypan squash), groundcherry, and yautia, which makes leucodelphinidin a potential biomarker for the consumption of these food products. Other species containing leucodelphinidin include Aesculus hippocastanum (Horse chestnut, in rind/bark/cortex), Arachis hypogaea (Earth nut in seeds), Arbutus unedo (Arbutus, in the leaf), Caesalpinia pulcherrima (Barbados pride), Ceratonia siliqua (Carob, in the fruit), Hamamelis virginiana (American witch hazel, in the leaf), Hippophae rhamnoides (Hippophae berry, in the leaf), Humulus lupulus (bine flower / blossom, in the leaf), Musa acuminata × balbisiana (Banana, in the fruit), Nelumbo nucifera (Baladi bean, in the leaf), Phyllanthus emblica (Emblic, Indian gooseberry, in the rind/bark/cortex), Quercus alba (White oak, in the rind/bark/cortex), Quercus robur (Common oak, in the rind/bark/cortex), Rumex hymenosepalus (Arizona dock, in the root), Schinus molle (California peppertree, in the leaf) and Vicia faba (bell-bean, in the seed) . |
| Exact Mass | 322.069 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 322.069 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 408.0 |
| Hydrogen Bond Acceptor Count | 8.0 |
| Molecular Weight | 322.27 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromene-3,4,5,7-tetrol |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C15H14O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,13-22H |
| Smiles | C1=C(C=C(C(=C1O)O)O)C2C(C(C3=C(C=C(C=C3O2)O)O)O)O |
| Xlogp | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C15H14O8 |
- 1. Outgoing r'ship
FOUND_INto/from Arachis Hypogaea (Plant) Rel Props:Source_db:fooddb_chem_all - 2. Outgoing r'ship
FOUND_INto/from Ceratonia Siliqua (Plant) Rel Props:Source_db:fooddb_chem_all - 3. Outgoing r'ship
FOUND_INto/from Hippophae Rhamnoides (Plant) Rel Props:Source_db:fooddb_chem_all - 4. Outgoing r'ship
FOUND_INto/from Nelumbo Nucifera (Plant) Rel Props:Source_db:fooddb_chem_all - 5. Outgoing r'ship
FOUND_INto/from Vicia Faba (Plant) Rel Props:Source_db:fooddb_chem_all