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4',7-Dimethoxyisoflavone

PubChem CID: 136419

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Compound Synonyms 4',7-Dimethoxyisoflavone, 1157-39-7, 7,4'-Dimethoxyisoflavone, 7-methoxy-3-(4-methoxyphenyl)chromen-4-one, Daidzein dimethyl ether, dimethoxydaidzein, 7,4'-Di-O-methyldaidzein, 4H-1-Benzopyran-4-one, 7-methoxy-3-(4-methoxyphenyl)-, 7-Methoxy-3-(4-methoxyphenyl)-4H-chromen-4-one, CHEMBL12658, F5547DW3CO, UNII-F5547DW3CO, KBio2_006313, di-o-methyldaidzein, MFCD00075889, 7-Methoxy-3-(4-methoxyphenyl)chromone, Spectrum_000697, SpecPlus_000113, 4,7-Dimethoxyisoflavone, Spectrum2_000185, Spectrum3_000209, Spectrum4_001605, Spectrum5_000329, 4, 7'-Dimethoxyisoflavone, 4',7-Di-O-methyldaidzein, Oprea1_523121, KBioGR_001949, KBioSS_001177, MLS002695973, DivK1c_006209, SCHEMBL571576, SPBio_000109, 7,4''''-Dimethoxyisoflavone, FORMONONETIN METHYL ETHER, 7-Methoxy-3-(4-methoxyphenyl)-4H-1-benzopyran-4-one, KBio1_001153, KBio2_001177, KBio2_003745, KBio3_001297, 7,4, -DIMETHOXYISOFLAVONE, DTXSID90151171, 4',7-DIMETHOXYLISOFLAVONE, CHEBI:196309, BCP19042, HY-N2145, BDBM50491177, LMPK12050040, s3910, STK924704, FORMONONETIN 7-O-METHYL ETHER, AKOS002223699, ISOFLAVONE, 4',7-DIMETHOXY-, CCG-214635, CS-5799, FD66199, NCGC00247044-01, NCGC00247044-02, AC-34195, AS-69269, SMR001562127, DB-041286, D4389, VU0616764-1, 7-Methoxy-3-(4-methoxy-phenyl)-chromen-4-one, F16185, AB00052651-04, 7-Methoxy-3-(p-methoxyphenyl)-4H-chromen-4-one, AC-542/21092003, Dimethoxydaidzein pound>>7,4'-Dimethoxyisoflavone, SR-05000002529, 7-Methoxy-3-(4-methoxyphenyl)-4H-chromen-4-one #, SR-05000002529-1, Q27277653, F3385-0965
Topological Polar Surface Area 44.8
Hydrogen Bond Donor Count 0.0
Heavy Atom Count 21.0
Isotope Atom Count 0.0
Molecular Complexity 409.0
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Uniprot Id Q16236, Q9UNA4, P84022, P38398, Q9NUW8, Q13148, P14916, O94782, Q03431
Iupac Name 7-methoxy-3-(4-methoxyphenyl)chromen-4-one
Prediction Hob 1.0
Xlogp 3.1
Molecular Formula C17H14O4
Prediction Swissadme 0.0
Inchi Key LPNBCGIVZXHHHO-UHFFFAOYSA-N
Fcsp3 0.1176470588235294
Logs -4.776
Rotatable Bond Count 3.0
Logd 3.016
Compound Name 4',7-Dimethoxyisoflavone
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 -3.423938523809524
Inchi InChI=1S/C17H14O4/c1-19-12-5-3-11(4-6-12)15-10-21-16-9-13(20-2)7-8-14(16)17(15)18/h3-10H,1-2H3
Smiles COC1=CC=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3)OC
Nring 3.0
Defined Bond Stereocenter Count 0.0

  • 1. Outgoing r'ship FOUND_IN to/from Arum Maximum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 2. Outgoing r'ship FOUND_IN to/from Aspilia Parvifolia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 3. Outgoing r'ship FOUND_IN to/from Astragalus Adsurgens (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 4. Outgoing r'ship FOUND_IN to/from Barringtonia Acutangula (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 5. Outgoing r'ship FOUND_IN to/from Chamomilla Recutita (Plant) Rel Props:Source_db:npass_chem_all
  • 6. Outgoing r'ship FOUND_IN to/from Corydalis Densiflora (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 7. Outgoing r'ship FOUND_IN to/from Craibiodendron Yunnanense (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 8. Outgoing r'ship FOUND_IN to/from Dalbergia Congestiflora (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 9. Outgoing r'ship FOUND_IN to/from Desmodium Canadense (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 10. Outgoing r'ship FOUND_IN to/from Embelia Ribes (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 11. Outgoing r'ship FOUND_IN to/from Glycyrrhiza Pallidiflora (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 12. Outgoing r'ship FOUND_IN to/from Heliotropium Hirsutissimum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 13. Outgoing r'ship FOUND_IN to/from Inulanthera Calva (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 14. Outgoing r'ship FOUND_IN to/from Khaya Grandifoliola (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 15. Outgoing r'ship FOUND_IN to/from Mabea Fistulifera (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 16. Outgoing r'ship FOUND_IN to/from Myroxylon Peruiferum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 17. Outgoing r'ship FOUND_IN to/from Napoleonaea Vogelii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 18. Outgoing r'ship FOUND_IN to/from Nicotiana Raimondii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 19. Outgoing r'ship FOUND_IN to/from Schleichera Trijuga (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 20. Outgoing r'ship FOUND_IN to/from Schultesia Guianensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 21. Outgoing r'ship FOUND_IN to/from Scolopia Chinensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 22. Outgoing r'ship FOUND_IN to/from Triclisia Subcordata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 23. Outgoing r'ship FOUND_IN to/from Trollius Europaeus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
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