3,4-dihydroxy-2-(2,4,5-trihydroxy-6-methyloxan-3-yl)oxy-3,4-dihydro-2H-pyran-6-carboxylic acid
PubChem CID: 4479101
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | Lepidimoic acid, 3,4-dihydroxy-2-(2,4,5-trihydroxy-6-methyloxan-3-yl)oxy-3,4-dihydro-2H-pyran-6-carboxylic acid, 157676-09-0, CHEBI:169657, 1-methyl-3-phenyl-5-(3-propoxyphenyl)pyridin-4-one, 2-O-L-Ramnopyranosyl-4-Deoxy-alpha-L-threo-hex-4-enopyranosiduronoic acid, 6-Deoxy-2-O-(4-deoxy-b-L-threo-hex-4-enopyranuronosyl)-L-mannose, 9CI |
|---|---|
| Topological Polar Surface Area | 166.0 |
| Hydrogen Bond Donor Count | 6.0 |
| Heavy Atom Count | 22.0 |
| Description | Isolated from seeds of Lepidium sativum (garden cress). Lepidimoic acid is found in garden cress and brassicas. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 451.0 |
| Database Name | fooddb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3,4-dihydroxy-2-(2,4,5-trihydroxy-6-methyloxan-3-yl)oxy-3,4-dihydro-2H-pyran-6-carboxylic acid |
| Nih Violation | False |
| Class | Carbohydrates and carbohydrate conjugates |
| Xlogp | -2.8 |
| Superclass | Organooxygen compounds |
| Is Pains | False |
| Subclass | Sugar acids and derivatives |
| Molecular Formula | C12H18O10 |
| Inchi Key | PBUKNNGDHZLXKG-UHFFFAOYSA-N |
| Rotatable Bond Count | 3.0 |
| Synonyms | 1-methyl-3-phenyl-5-(3-propoxyphenyl)pyridin-4-one, 2-O-L-ramnopyranosyl-4-Deoxy-alpha-L-threo-hex-4-enopyranosiduronoic acid, 6-Deoxy-2-O-(4-deoxy-b-L-threo-hex-4-enopyranuronosyl)-L-mannose, 9CI, Lepidimoide |
| Substituent Name | Sugar acid, Oxane, Monosaccharide, Secondary alcohol, Polyol, Hemiacetal, 1,2-diol, Oxacycle, Organoheterocyclic compound, Monocarboxylic acid or derivatives, Ether, Carboxylic acid, Carboxylic acid derivative, Acetal, Hydrocarbon derivative, Carbonyl group, Alcohol, Aliphatic heteromonocyclic compound |
| Compound Name | 3,4-dihydroxy-2-(2,4,5-trihydroxy-6-methyloxan-3-yl)oxy-3,4-dihydro-2H-pyran-6-carboxylic acid |
| Kingdom | Organic compounds |
| Exact Mass | 322.09 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 322.09 |
| Hydrogen Bond Acceptor Count | 10.0 |
| Molecular Weight | 322.26 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 8.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C12H18O10/c1-3-6(14)8(16)9(11(19)20-3)22-12-7(15)4(13)2-5(21-12)10(17)18/h2-4,6-9,11-16,19H,1H3,(H,17,18) |
| Smiles | CC1C(C(C(C(O1)O)OC2C(C(C=C(O2)C(=O)O)O)O)O)O |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Lepidium Sativum (Plant) Rel Props:Source_db:fooddb_chem_all