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Echinoisoflavanone

PubChem CID: 45270698

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Compound Synonyms echinoisoflavanone, 3-(2,4-dimethoxy-3-(3-methylbut-2-en-2-yl)phenyl)-3,5,7-trihydroxy-2H-chromen-4-one, 3-[2,4-dimethoxy-3-(3-methylbut-2-en-2-yl)phenyl]-3,5,7-trihydroxy-2H-chromen-4-one, echino-isoflavanone, CHEMBL565053
Topological Polar Surface Area 105.0
Hydrogen Bond Donor Count 3.0
Heavy Atom Count 29.0
Isotope Atom Count 0.0
Molecular Complexity 643.0
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Iupac Name 3-[2,4-dimethoxy-3-(3-methylbut-2-en-2-yl)phenyl]-3,5,7-trihydroxy-2H-chromen-4-one
Prediction Hob 1.0
Xlogp 4.3
Molecular Formula C22H24O7
Prediction Swissadme 1.0
Inchi Key VNIXCOZHVDVADB-UHFFFAOYSA-N
Fcsp3 0.3181818181818182
Logs -4.018
Rotatable Bond Count 4.0
Logd 3.337
Compound Name Echinoisoflavanone
Prediction Hob Swissadme 1.0
Exact Mass 400.152
Formal Charge 0.0
Monoisotopic Mass 400.152
Hydrogen Bond Acceptor Count 7.0
Molecular Weight 400.4
Covalent Unit Count 1.0
Total Atom Stereocenter Count 1.0
Total Bond Stereocenter Count 0.0
Esol -5.105354296551724
Inchi InChI=1S/C22H24O7/c1-11(2)12(3)18-16(27-4)7-6-14(20(18)28-5)22(26)10-29-17-9-13(23)8-15(24)19(17)21(22)25/h6-9,23-24,26H,10H2,1-5H3
Smiles CC(=C(C)C1=C(C=CC(=C1OC)C2(COC3=CC(=CC(=C3C2=O)O)O)O)OC)C
Nring 3.0
Defined Bond Stereocenter Count 0.0

  • 1. Outgoing r'ship FOUND_IN to/from Arnica Mollis (Plant) Rel Props:Reference:
  • 2. Outgoing r'ship FOUND_IN to/from Blumea Mollis (Plant) Rel Props:Reference:
  • 3. Outgoing r'ship FOUND_IN to/from Brucea Mollis (Plant) Rel Props:Reference:
  • 4. Outgoing r'ship FOUND_IN to/from Diospyros Mollis (Plant) Rel Props:Reference:
  • 5. Outgoing r'ship FOUND_IN to/from Echinosophora Koreensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 6. Outgoing r'ship FOUND_IN to/from Elephantopus Mollis (Plant) Rel Props:Reference:
  • 7. Outgoing r'ship FOUND_IN to/from Eria Mollis (Plant) Rel Props:Reference:
  • 8. Outgoing r'ship FOUND_IN to/from Ficus Mollis (Plant) Rel Props:Reference:
  • 9. Outgoing r'ship FOUND_IN to/from Grewia Mollis (Plant) Rel Props:Reference:
  • 10. Outgoing r'ship FOUND_IN to/from Helianthus Mollis (Plant) Rel Props:Reference:
  • 11. Outgoing r'ship FOUND_IN to/from Lagascea Mollis (Plant) Rel Props:Reference:
  • 12. Outgoing r'ship FOUND_IN to/from Minthostachys Mollis (Plant) Rel Props:Reference:
  • 13. Outgoing r'ship FOUND_IN to/from Pedicularis Mollis (Plant) Rel Props:Reference:
  • 14. Outgoing r'ship FOUND_IN to/from Plectranthus Mollis (Plant) Rel Props:Reference:
  • 15. Outgoing r'ship FOUND_IN to/from Pulmonaria Mollis (Plant) Rel Props:Reference:
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  • 19. Outgoing r'ship FOUND_IN to/from Sophora Davidii (Plant) Rel Props:Reference:
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  • 21. Outgoing r'ship FOUND_IN to/from Sophora Flavescens (Plant) Rel Props:Reference:
  • 22. Outgoing r'ship FOUND_IN to/from Sophora Franchetiana (Plant) Rel Props:Reference:
  • 23. Outgoing r'ship FOUND_IN to/from Sophora Glauca (Plant) Rel Props:Reference:
  • 24. Outgoing r'ship FOUND_IN to/from Sophora Japonica (Plant) Rel Props:Reference:
  • 25. Outgoing r'ship FOUND_IN to/from Sophora Leachiana (Plant) Rel Props:Reference:
  • 26. Outgoing r'ship FOUND_IN to/from Sophora Mollis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 27. Outgoing r'ship FOUND_IN to/from Sophora Moorcroftiana (Plant) Rel Props:Reference:
  • 28. Outgoing r'ship FOUND_IN to/from Sophora Pachycarpa (Plant) Rel Props:Reference:
  • 29. Outgoing r'ship FOUND_IN to/from Sophora Secundiflora (Plant) Rel Props:Reference:
  • 30. Outgoing r'ship FOUND_IN to/from Sophora Tetraptera (Plant) Rel Props:Reference:
  • 31. Outgoing r'ship FOUND_IN to/from Sophora Tomentosa (Plant) Rel Props:Reference:
  • 32. Outgoing r'ship FOUND_IN to/from Sophora Tometosa (Plant) Rel Props:Reference:
  • 33. Outgoing r'ship FOUND_IN to/from Sophora Tonkinensis (Plant) Rel Props:Reference:
  • 34. Outgoing r'ship FOUND_IN to/from Sophora Velutina (Plant) Rel Props:Reference:
  • 35. Outgoing r'ship FOUND_IN to/from Sophora Viciifolia (Plant) Rel Props:Reference:
  • 36. Outgoing r'ship FOUND_IN to/from Sophora Wightii (Plant) Rel Props:Reference:
  • 37. Outgoing r'ship FOUND_IN to/from Teramnus Mollis (Plant) Rel Props:Reference:
  • 38. Outgoing r'ship FOUND_IN to/from Thermopsis Mollis (Plant) Rel Props:Reference:
  • 39. Outgoing r'ship FOUND_IN to/from Wyethia Mollis (Plant) Rel Props:Reference:
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