6-(2-Pyrrolidinone-5-yl)-(-)-epicatechin
PubChem CID: 42604221
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | CHEBI:66799, 6-(2-pyrrolidinone-5-yl)-(-)-epicatechin, Q27135431 |
|---|---|
| Topological Polar Surface Area | 139.0 |
| Hydrogen Bond Donor Count | 6.0 |
| Heavy Atom Count | 27.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 560.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | 5-[(2R,3R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-6-yl]pyrrolidin-2-one |
| Nih Violation | False |
| Prediction Hob | 0.0 |
| Xlogp | -0.4 |
| Is Pains | True |
| Molecular Formula | C19H19NO7 |
| Prediction Swissadme | 0.0 |
| Inchi Key | UCIRBQYYKCLWFF-SEKYPHQKSA-N |
| Fcsp3 | 0.3157894736842105 |
| Rotatable Bond Count | 2.0 |
| Compound Name | 6-(2-Pyrrolidinone-5-yl)-(-)-epicatechin |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 373.116 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 373.116 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 373.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.080827088888889 |
| Inchi | InChI=1S/C19H19NO7/c21-11-3-1-8(5-12(11)22)19-14(24)6-9-15(27-19)7-13(23)17(18(9)26)10-2-4-16(25)20-10/h1,3,5,7,10,14,19,21-24,26H,2,4,6H2,(H,20,25)/t10?,14-,19-/m1/s1 |
| Smiles | C1CC(=O)NC1C2=C(C3=C(C=C2O)O[C@@H]([C@@H](C3)O)C4=CC(=C(C=C4)O)O)O |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Actinidia Arguta (Plant) Rel Props:Source_db:cmaup_ingredients