Persiconin
PubChem CID: 42608082
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | Persiconin, CHEBI:168273, DBA97803, LMPK12140586, 3,4-Dimethylcyclohexanone,ct Persiconin, 2-(3-hydroxy-4-methoxyphenyl)-7-methoxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one |
|---|---|
| Topological Polar Surface Area | 164.0 |
| Hydrogen Bond Donor Count | 5.0 |
| Heavy Atom Count | 34.0 |
| Description | Isolated from Persica vulgaris (peach) and Prunus species Persicogenin 5-glucoside is found in fruits and peach. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 692.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(3-hydroxy-4-methoxyphenyl)-7-methoxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one |
| Nih Violation | True |
| Class | Flavonoids |
| Xlogp | 0.3 |
| Superclass | Phenylpropanoids and polyketides |
| Is Pains | False |
| Subclass | Flavonoid glycosides |
| Molecular Formula | C23H26O11 |
| Inchi Key | NKYUUWHIEOUGKB-UHFFFAOYSA-N |
| Rotatable Bond Count | 6.0 |
| State | Solid |
| Synonyms | 3,4-Dimethyl cyclohexanone, 3,4-DIMETHYLCYCLOHEXANONE, 3,4-Dimethylcyclohexanone,ct persiconin, Persicogenin 5-glucoside, Persiconin, Persicoside, 3,4-Dimethylcyclohexanone,CT persiconin |
| Substituent Name | Flavonoid o-glycoside, Flavonoid-5-o-glycoside, Methoxyflavonoid skeleton, 7-methoxyflavonoid-skeleton, 4p-methoxyflavonoid-skeleton, Monohydroxyflavonoid, Flavanone, 3'-hydroxyflavonoid, Flavan, O-glycosyl compound, Glycosyl compound, Chromone, 1-benzopyran, Methoxyphenol, Benzopyran, Chromane, Methoxybenzene, Aryl alkyl ketone, Aryl ketone, Phenol ether, Anisole, Phenol, Alkyl aryl ether, Benzenoid, Oxane, Monosaccharide, Saccharide, Monocyclic benzene moiety, Secondary alcohol, Polyol, Ketone, 1,2-diol, Oxacycle, Organoheterocyclic compound, Ether, Acetal, Hydrocarbon derivative, Primary alcohol, Organooxygen compound, Carbonyl group, Alcohol, Aromatic heteropolycyclic compound |
| Compound Name | Persiconin |
| Kingdom | Organic compounds |
| Exact Mass | 478.148 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 478.148 |
| Hydrogen Bond Acceptor Count | 11.0 |
| Molecular Weight | 478.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 6.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Inchi | InChI=1S/C23H26O11/c1-30-11-6-16-19(13(26)8-15(32-16)10-3-4-14(31-2)12(25)5-10)17(7-11)33-23-22(29)21(28)20(27)18(9-24)34-23/h3-7,15,18,20-25,27-29H,8-9H2,1-2H3 |
| Smiles | COC1=C(C=C(C=C1)C2CC(=O)C3=C(O2)C=C(C=C3OC4C(C(C(C(O4)CO)O)O)O)OC)O |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Flavonoid-7-O-glycosides |
- 1. Outgoing r'ship
FOUND_INto/from Prunus Persica (Plant) Rel Props:Source_db:fooddb_chem_all