2-Hydroxy-3-(3,4-dihydroxyphenyl)propanamide
PubChem CID: 10035593
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| Compound Synonyms | 3-(3,4-dihydroxyphenyl)-2-hydroxypropanamide, 2-Hydroxy-3-(3,4-dihydroxyphenyl)propanamide, 3-(3,4-dihydroxyphenyl)lactamide, SCHEMBL23967173, CHEBI:180191, 3-(3,4-dihydroxyphenyl) lactamide |
|---|---|
| Topological Polar Surface Area | 104.0 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 14.0 |
| Description | Isolated from rhizomes of sage plant. 2-Hydroxy-3-(3,4-dihydroxyphenyl)propanamide is found in herbs and spices. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 209.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-(3,4-dihydroxyphenyl)-2-hydroxypropanamide |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | -0.9 |
| Is Pains | True |
| Molecular Formula | C9H11NO4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | UZRUFOMXLWRIQS-UHFFFAOYSA-N |
| Fcsp3 | 0.2222222222222222 |
| Rotatable Bond Count | 3.0 |
| Synonyms | 2-Hydroxy-3-(3,4-dihydroxyphenyl)propanamide, 3-(3,4-Dihydroxyphenyl)lactamide |
| Compound Name | 2-Hydroxy-3-(3,4-dihydroxyphenyl)propanamide |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 197.069 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 197.069 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 197.19 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -0.646220857142857 |
| Inchi | InChI=1S/C9H11NO4/c10-9(14)8(13)4-5-1-2-6(11)7(12)3-5/h1-3,8,11-13H,4H2,(H2,10,14) |
| Smiles | C1=CC(=C(C=C1CC(C(=O)N)O)O)O |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Salvia Miltiorrhiza (Plant) Rel Props:Source_db:cmaup_ingredients