Leucocyanidin
PubChem CID: 71629
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| Compound Synonyms | Leucocyanidin, Leucocianidol, Procyanidol, 2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,4,5,7-tetrol, 27015-21-0, CHEBI:15758, 3,3',4,4',5,7-flavanhexanol, 2,3-trans-3,4-trans-leucocyanidin, SCHEMBL285598, CHEMBL123809, SCHEMBL25894747, SBZWTSHAFILOTE-UHFFFAOYSA-N, NSC84278, NSC98945, LMPK12020202, NSC-84278, NSC-98945, FL65777, 3,3',4,4',5,7-Hexahydroxyflavane polymer, Q61014519, (2R,3S,4S)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,4,5,7-tetrol, 34540-64-2 |
|---|---|
| Topological Polar Surface Area | 131.0 |
| Hydrogen Bond Donor Count | 6.0 |
| Heavy Atom Count | 22.0 |
| Description | Leucocyanidin, also known as 3,3',4,4',5,7-flavanhexol or resivit, is a member of the class of compounds known as catechins. Catechins are compounds containing a catechin moiety, which is a 3,4-dihydro-2-chromene-3,5.7-tiol. Thus, leucocyanidin is considered to be a flavonoid lipid molecule. Leucocyanidin is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Leucocyanidin can be found in a number of food items such as climbing bean, black mulberry, corn salad, and caraway, which makes leucocyanidin a potential biomarker for the consumption of these food products. Leucocyanidin is a colorless chemical compound that is a member of the class of natural products known as leucoanthocyanidins . |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 392.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,4,5,7-tetrol |
| Prediction Hob | 0.0 |
| Class | Flavonoids |
| Xlogp | -0.8 |
| Superclass | Phenylpropanoids and polyketides |
| Subclass | Flavans |
| Molecular Formula | C15H14O7 |
| Prediction Swissadme | 0.0 |
| Inchi Key | SBZWTSHAFILOTE-UHFFFAOYSA-N |
| Fcsp3 | 0.2 |
| Rotatable Bond Count | 1.0 |
| Synonyms | 2-(3,4-Dihydroxyphenyl)-3,4-dihydro-2H-benzopyran-3,4,5,7-tetrol, 9CI, Leucanthocyanidol, Leucocianidol, INN, Leucocyanidin, Leucocyanidol, Procyanidol, Pygnoforton, Pyknogenol, 2-(3,4-Dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,4,5,7-tetrol, 3,3',4,4',5,7-Flavanhexol, 3,4-Cyanidiol, Leucoanthocyanidol, Leucocianidol, Leukocyanidine, Resivit, 3,3',4,4',5,7-Flavanhexanol, 3,3',4,4',5,7-Hexahydroflavane, 5,7,3,4-Tetrahydroxyflavan-3',4'-diol, Venen tabs, Flavanhexanol, Leucodyanidol |
| Compound Name | Leucocyanidin |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 306.074 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 306.074 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 306.27 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Esol | -1.6040103636363632 |
| Inchi | InChI=1S/C15H14O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,13-21H |
| Smiles | C1=CC(=C(C=C1C2C(C(C3=C(C=C(C=C3O2)O)O)O)O)O)O |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Catechins |
- 1. Outgoing r'ship
FOUND_INto/from Acacia Arabica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Anacardium Occidentale (Plant) Rel Props:Source_db:fooddb_chem_all - 3. Outgoing r'ship
FOUND_INto/from Arachis Hypogaea (Plant) Rel Props:Source_db:cmaup_ingredients;fooddb_chem_all;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Camellia Sinensis (Plant) Rel Props:Source_db:fooddb_chem_all - 5. Outgoing r'ship
FOUND_INto/from Crataegus Pinnatifida (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 6. Outgoing r'ship
FOUND_INto/from Hippophae Rhamnoides (Plant) Rel Props:Source_db:fooddb_chem_all - 7. Outgoing r'ship
FOUND_INto/from Hordeum Vulgare (Plant) Rel Props:Source_db:fooddb_chem_all - 8. Outgoing r'ship
FOUND_INto/from Humulus Lupulus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 9. Outgoing r'ship
FOUND_INto/from Lannea Grandis (Plant) Rel Props:Source_db:npass_chem_all - 10. Outgoing r'ship
FOUND_INto/from Laurus Nobilis (Plant) Rel Props:Source_db:fooddb_chem_all - 11. Outgoing r'ship
FOUND_INto/from Nelumbo Nucifera (Plant) Rel Props:Source_db:fooddb_chem_all - 12. Outgoing r'ship
FOUND_INto/from Phaseolus Vulgaris (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 13. Outgoing r'ship
FOUND_INto/from Prunus Cerasus (Plant) Rel Props:Source_db:fooddb_chem_all - 14. Outgoing r'ship
FOUND_INto/from Psidium Guajava (Plant) Rel Props:Source_db:fooddb_chem_all - 15. Outgoing r'ship
FOUND_INto/from Vicia Faba (Plant) Rel Props:Source_db:fooddb_chem_all - 16. Outgoing r'ship
FOUND_INto/from Vitis Vinifera (Plant) Rel Props:Source_db:fooddb_chem_all - 17. Outgoing r'ship
FOUND_INto/from Zea Mays (Plant) Rel Props:Source_db:fooddb_chem_all