2-O-Feruloylhydroxycitric acid
PubChem CID: 131752859
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| Compound Synonyms | 2-Feruloylhydroxycitric acid, 2-O-Feruloylhydroxycitric acid, CHEBI:176361, 2-hydroxy-1-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxypropane-1,2,3-tricarboxylic acid |
|---|---|
| Topological Polar Surface Area | 188.0 |
| Hydrogen Bond Donor Count | 5.0 |
| Heavy Atom Count | 27.0 |
| Description | Constituent of Zea mays (sweet corn). 2-O-Feruloylhydroxycitric acid is found in cereals and cereal products, fats and oils, and corn. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 613.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-hydroxy-1-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxypropane-1,2,3-tricarboxylic acid |
| Nih Violation | True |
| Class | Carboxylic acids and derivatives |
| Xlogp | -0.3 |
| Superclass | Organic acids and derivatives |
| Is Pains | False |
| Subclass | Tetracarboxylic acids and derivatives |
| Molecular Formula | C16H16O11 |
| Inchi Key | QAEWENIBBUMYIB-HWKANZROSA-N |
| Rotatable Bond Count | 10.0 |
| State | Solid |
| Synonyms | 2-O-Feruloylhydroxycitric acid, 2-O-Feruloylhydroxycitrate, 2-Hydroxy-1-{[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}propane-1,2,3-tricarboxylate |
| Compound Name | 2-O-Feruloylhydroxycitric acid |
| Kingdom | Organic compounds |
| Exact Mass | 384.069 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 384.069 |
| Hydrogen Bond Acceptor Count | 11.0 |
| Molecular Weight | 384.29 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 1.0 |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Inchi | InChI=1S/C16H16O11/c1-26-10-6-8(2-4-9(10)17)3-5-12(20)27-13(14(21)22)16(25,15(23)24)7-11(18)19/h2-6,13,17,25H,7H2,1H3,(H,18,19)(H,21,22)(H,23,24)/b5-3+ |
| Smiles | COC1=C(C=CC(=C1)/C=C/C(=O)OC(C(=O)O)C(CC(=O)O)(C(=O)O)O)O |
| Defined Bond Stereocenter Count | 1.0 |
| Taxonomy Direct Parent | Tetracarboxylic acids and derivatives |
- 1. Outgoing r'ship
FOUND_INto/from Zea Mays (Plant) Rel Props:Source_db:fooddb_chem_all