5,7-Dimethoxyisoflavone
PubChem CID: 6710704
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| Compound Synonyms | 5,7-Dimethoxyisoflavone, 26964-35-2, 5,7-dimethoxy-3-phenylchromen-4-one, Isoflavone, 5,7-dimethoxy-, NE98V0XL72, 5,7-Dimethoxy-3-phenyl-4H-chromen-4-one, UNII-NE98V0XL72, DTXSID60425119, 4H-1-Benzopyran-4-one, 5,7-dimethoxy-3-phenyl-, KBio2_002369, Spectrum_001856, Spectrum2_000045, Spectrum3_001141, Spectrum4_000195, Spectrum4_001988, 4H-1-Benzopyran-4-one,5,7-dimethoxy-3-phenyl-, BSPBio_002661, KBioGR_000769, KBioGR_002522, KBioSS_002373, SPECTRUM240576, SPBio_000169, CHEMBL308688, SCHEMBL1675985, KBio2_004937, KBio2_007505, KBio3_002161, DTXCID10375953, CHEBI:174686, CCG-38349, LMPK12050159, FD66629, SDCCGMLS-0066469.P001, NCGC00095549-01, NCGC00095549-02, NCGC00178547-01, BRD-K41321810-001-02-2, Q27284826 |
|---|---|
| Topological Polar Surface Area | 44.8 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 21.0 |
| Description | Isolated from peanut (Arachis hypogaea) seeds. 5,7-Dimethoxyisoflavone is found in peanut and nuts. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 411.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5,7-dimethoxy-3-phenylchromen-4-one |
| Nih Violation | False |
| Class | Isoflavonoids |
| Xlogp | 3.1 |
| Superclass | Phenylpropanoids and polyketides |
| Is Pains | False |
| Subclass | O-methylated isoflavonoids |
| Molecular Formula | C17H14O4 |
| Inchi Key | CDSSYLTXYXEANW-UHFFFAOYSA-N |
| Rotatable Bond Count | 3.0 |
| State | Solid |
| Synonyms | 5,7-Dimethoxyisoflavone |
| Compound Name | 5,7-Dimethoxyisoflavone |
| Kingdom | Organic compounds |
| Exact Mass | 282.089 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 282.089 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 282.29 |
| 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/C17H14O4/c1-19-12-8-14(20-2)16-15(9-12)21-10-13(17(16)18)11-6-4-3-5-7-11/h3-10H,1-2H3 |
| Smiles | COC1=CC2=C(C(=C1)OC)C(=O)C(=CO2)C3=CC=CC=C3 |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | 7-O-methylisoflavones |
- 1. Outgoing r'ship
FOUND_INto/from Arachis Hypogaea (Plant) Rel Props:Source_db:fooddb_chem_all