3',4'-Dimethoxyflavone
PubChem CID: 688674
Connections displayed (default: 10).
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| Compound Synonyms | 3',4'-Dimethoxyflavone, 4143-62-8, 2-(3,4-dimethoxyphenyl)-4H-chromen-4-one, 2-(3,4-dimethoxyphenyl)chromen-4-one, MFCD00143009, 3',4'-DMF, CHEMBL91153, DTXSID50350946, 4H-1-Benzopyran-4-one, 2-(3,4-dimethoxyphenyl)-, KBio2_004087, 3,4-Dimethoxyflavone, Spectrum_001039, 2-(3,4-Dimethoxy-phenyl)-chromen-4-one, SpecPlus_000555, Spectrum2_000709, Spectrum4_001893, Spectrum5_000546, Oprea1_098805, KBioGR_002451, KBioSS_001519, DivK1c_006651, SPECTRUM1500735, SPBio_000897, SCHEMBL1675954, 3-,4--DIMETHOXYFLAVONE, KBio1_001595, KBio2_001519, KBio2_006655, DTXCID20302013, CHEBI:232299, HY-N8572, BDBM50420209, CCG-40034, STK899809, AKOS002279678, FD65930, SDCCGMLS-0066648.P001, NCGC00095629-01, LS-14554, PD171572, SY050121, CS-0148635, D4794, T70897, AN-829/41499278, SR-01000471680, SR-01000471680-1, 3 inverted exclamation mark ,4 inverted exclamation mark -Dimethoxyflavone, 662-653-3 |
|---|---|
| Topological Polar Surface Area | 44.8 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 417.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | Q99714, B2RXH2, Q16637, P10828, P10636, P00352, Q9F4F7, P02791, P28482, P00883, O97447, Q03164, P15428, P06280, P08684, Q92830, O94782, P08183, Q9NUW8, Q9NPD5, Q9Y6L6 |
| Iupac Name | 2-(3,4-dimethoxyphenyl)chromen-4-one |
| Prediction Hob | 1.0 |
| Target Id | NPT149, NPT48, NPT93, NPT46, NPT51, NPT94, NPT282, NPT151, NPT501, NPT109, NPT668 |
| Xlogp | 3.5 |
| Molecular Formula | C17H14O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | ZGHORMOOTZTQFL-UHFFFAOYSA-N |
| Fcsp3 | 0.1176470588235294 |
| Logs | -5.167 |
| Rotatable Bond Count | 3.0 |
| Logd | 2.978 |
| Compound Name | 3',4'-Dimethoxyflavone |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 282.089 |
| Formal Charge | 0.0 |
| 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 |
| Esol | -3.4239385238095235 |
| Inchi | InChI=1S/C17H14O4/c1-19-15-8-7-11(9-17(15)20-2)16-10-13(18)12-5-3-4-6-14(12)21-16/h3-10H,1-2H3 |
| Smiles | COC1=C(C=C(C=C1)C2=CC(=O)C3=CC=CC=C3O2)OC |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
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