Apimaysin
PubChem CID: 194566
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| Compound Synonyms | Apimaysin, 74158-04-6, 5,7-dihydroxy-6-[4-hydroxy-6-methyl-5-oxo-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]-2-(4-hydroxyphenyl)chromen-4-one, 2,6-Anhydro-1-deoxy-5-O-(6-deoxy-alpha-L-mannopyranosyl)-6-C-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-1-benzopyran-6-yl]-xylo-3-hexulose, 2,6-Anhydro-1-deoxy-5-O-(6-deoxy-alpha-L-mannopyranosyl)-6-C-(5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-1-benzopyran-6-yl)-xylo-3-hexulose, 5,7-dihydroxy-6-(4-hydroxy-6-methyl-5-oxo-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl)-2-(4-hydroxyphenyl)chromen-4-one, DTXSID30995596, CHEBI:191567, 2,6-Anhydro-1-deoxy-5-O-(6-deoxyhexopyranosyl)-6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-1-benzopyran-6-yl]hex-3-ulose |
|---|---|
| Topological Polar Surface Area | 213.0 |
| Hydrogen Bond Donor Count | 7.0 |
| Heavy Atom Count | 40.0 |
| Description | Isolated from corn silk (Zea mays). Apimaysin is found in cereals and cereal products and corn. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 979.0 |
| Database Name | fooddb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5,7-dihydroxy-6-[4-hydroxy-6-methyl-5-oxo-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]-2-(4-hydroxyphenyl)chromen-4-one |
| Nih Violation | False |
| Class | Flavonoids |
| Xlogp | 0.0 |
| Superclass | Phenylpropanoids and polyketides |
| Is Pains | False |
| Subclass | Flavonoid glycosides |
| Molecular Formula | C27H28O13 |
| Inchi Key | LCQVQAZLYBJMGJ-UHFFFAOYSA-N |
| Rotatable Bond Count | 4.0 |
| Synonyms | 2,6-Anhydro-1-deoxy-5-O-(6-deoxy-alpha-L-mannopyranosyl)-6-C-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-1-benzopyran-6-yl]-xylo-3-hexulose, 3'-Deoxymaysin, Apimaysin |
| Substituent Name | Flavonoid c-glycoside, Hydroxyflavonoid, Flavone, 7-hydroxyflavonoid, 5-hydroxyflavonoid, 4'-hydroxyflavonoid, O-glycosyl compound, Glycosyl compound, Disaccharide, Chromone, 1-benzopyran, Benzopyran, Resorcinol, Pyranone, Phenol, Benzenoid, Pyran, Oxane, Saccharide, Monocyclic benzene moiety, Heteroaromatic compound, Vinylogous acid, Cyclic ketone, Secondary alcohol, Polyol, Ketone, 1,2-diol, Oxacycle, Organoheterocyclic compound, Ether, Dialkyl ether, Acetal, Hydrocarbon derivative, Organooxygen compound, Carbonyl group, Alcohol, Aromatic heteropolycyclic compound |
| Compound Name | Apimaysin |
| Kingdom | Organic compounds |
| Exact Mass | 560.153 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 560.153 |
| Hydrogen Bond Acceptor Count | 13.0 |
| Molecular Weight | 560.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 9.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C27H28O13/c1-9-20(32)23(35)26(40-27-24(36)22(34)19(31)10(2)38-27)25(37-9)18-14(30)8-16-17(21(18)33)13(29)7-15(39-16)11-3-5-12(28)6-4-11/h3-10,19,22-28,30-31,33-36H,1-2H3 |
| Smiles | CC1C(C(C(C(O1)OC2C(C(=O)C(OC2C3=C(C4=C(C=C3O)OC(=CC4=O)C5=CC=C(C=C5)O)O)C)O)O)O)O |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Zea Mays (Plant) Rel Props:Source_db:fooddb_chem_all