Maysin 3'-methyl ether
PubChem CID: 74977693
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| Compound Synonyms | Maysin 3'-methyl ether, 3'-Methoxymaysin(incorr.), 5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-6-[4-hydroxy-6-methyl-5-oxo-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]chromen-4-one, 74158-05-7, 5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-6-(4-hydroxy-6-methyl-5-oxo-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl)chromen-4-one, 3a(2)-Methoxymaysin, CHEBI:191471, DTXSID601316618 |
|---|---|
| Topological Polar Surface Area | 222.0 |
| Hydrogen Bond Donor Count | 7.0 |
| Heavy Atom Count | 42.0 |
| Description | Isolated from corn silk (Zea mays). Maysin 3'-methyl ether is found in cereals and cereal products and corn. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 1040.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-6-[4-hydroxy-6-methyl-5-oxo-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]chromen-4-one |
| Nih Violation | False |
| Class | Flavonoids |
| Xlogp | 0.0 |
| Superclass | Phenylpropanoids and polyketides |
| Is Pains | False |
| Subclass | Flavonoid glycosides |
| Molecular Formula | C28H30O14 |
| Inchi Key | OKTXLUXOQRQVRH-UHFFFAOYSA-N |
| Rotatable Bond Count | 5.0 |
| Synonyms | 3'-Methoxymaysin(incorr.), 3'-O-Methylmaysin, Maysin 3'-methyl ether |
| Substituent Name | Flavonoid c-glycoside, Methoxyflavonoid skeleton, 3p-methoxyflavonoid-skeleton, Hydroxyflavonoid, Flavone, 7-hydroxyflavonoid, 5-hydroxyflavonoid, 4'-hydroxyflavonoid, O-glycosyl compound, Glycosyl compound, Disaccharide, Chromone, 1-benzopyran, Methoxyphenol, Benzopyran, Methoxybenzene, Resorcinol, Phenol ether, Anisole, Pyranone, Phenol, Alkyl aryl ether, 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 | Maysin 3'-methyl ether |
| Kingdom | Organic compounds |
| Exact Mass | 590.164 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 590.164 |
| Hydrogen Bond Acceptor Count | 14.0 |
| Molecular Weight | 590.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 9.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Inchi | InChI=1S/C28H30O14/c1-9-21(33)24(36)27(42-28-25(37)23(35)20(32)10(2)40-28)26(39-9)19-14(31)8-17-18(22(19)34)13(30)7-15(41-17)11-4-5-12(29)16(6-11)38-3/h4-10,20,23-29,31-32,34-37H,1-3H3 |
| 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)OC)O)C)O)O)O)O |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Flavonoid C-glycosides |
- 1. Outgoing r'ship
FOUND_INto/from Zea Mays (Plant) Rel Props:Source_db:fooddb_chem_all