5-Hydroxy-7,8,4'-trimethoxyflavone
PubChem CID: 14353376
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| Compound Synonyms | 5-Hydroxy-7,8,4'-trimethoxyflavone, Isoscutellarein 7,8,4'-trimethyl ether, 5-Hydroxy-4',7,8-trimethoxyflavone, 5-Hydroxy-7,8-dimethoxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one, SCHEMBL6365437, CHEBI:174400, DTXSID901169082, LMPK12111367, 57096-03-4, 5-hydroxy-7,8-dimethoxy-2-(4-methoxyphenyl)chromen-4-one |
|---|---|
| Topological Polar Surface Area | 74.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 24.0 |
| Description | From the peel of Citrus reticulata (mandarin). 7,8,4'-Trimethylisoscutellarein is found in citrus. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 482.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5-hydroxy-7,8-dimethoxy-2-(4-methoxyphenyl)chromen-4-one |
| Nih Violation | False |
| Class | Flavonoids |
| Xlogp | 3.3 |
| Superclass | Phenylpropanoids and polyketides |
| Is Pains | False |
| Subclass | O-methylated flavonoids |
| Molecular Formula | C18H16O6 |
| Inchi Key | RRZRJBICWWNHRB-UHFFFAOYSA-N |
| Rotatable Bond Count | 4.0 |
| State | Solid |
| Synonyms | 5-Hydroxy-4',7,8-trimethoxyflavone, 5-Hydroxy-7,8-dimethoxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one, 5-Hydroxy-7,8,4'-trimethoxyflavone, 7,8,4'-Trimethylisoscutellarein, Isoscutellarein 7,8,4'-trimethyl ether |
| Substituent Name | 8-methoxyflavonoid-skeleton, 7-methoxyflavonoid-skeleton, 4p-methoxyflavonoid-skeleton, Hydroxyflavonoid, Flavone, 5-hydroxyflavonoid, Chromone, 1-benzopyran, Methoxyphenol, Benzopyran, Hydroxyquinol derivative, Methoxybenzene, Phenol ether, Anisole, Pyranone, Alkyl aryl ether, Benzenoid, Pyran, Monocyclic benzene moiety, Heteroaromatic compound, Vinylogous acid, Oxacycle, Organoheterocyclic compound, Ether, Hydrocarbon derivative, Organooxygen compound, Aromatic heteropolycyclic compound |
| Compound Name | 5-Hydroxy-7,8,4'-trimethoxyflavone |
| Kingdom | Organic compounds |
| Exact Mass | 328.095 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 328.095 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 328.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Inchi | InChI=1S/C18H16O6/c1-21-11-6-4-10(5-7-11)14-8-12(19)16-13(20)9-15(22-2)17(23-3)18(16)24-14/h4-9,20H,1-3H3 |
| Smiles | COC1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C(=C(C=C3O)OC)OC |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | 8-O-methylated flavonoids |
- 1. Outgoing r'ship
FOUND_INto/from Citrus Reticulata (Plant) Rel Props:Source_db:fooddb_chem_all