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5,7,3',4'-Tetrahydroxy-3,6,5'-trimethoxyflavone

PubChem CID: 44258041

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Compound Synonyms 5,7,3',4'-Tetrahydroxy-3,6,5'-trimethoxyflavone, 2-(3,4-dihydroxy-5-methoxyphenyl)-5,7-dihydroxy-3,6-dimethoxychromen-4-one, SCHEMBL21049240, CHEBI:180415, LMPK12110612, 74517-68-3
Topological Polar Surface Area 135.0
Hydrogen Bond Donor Count 4.0
Heavy Atom Count 27.0
Isotope Atom Count 0.0
Molecular Complexity 591.0
Database Name cmaup_ingredients;pubchem
Defined Atom Stereocenter Count 0.0
Iupac Name 2-(3,4-dihydroxy-5-methoxyphenyl)-5,7-dihydroxy-3,6-dimethoxychromen-4-one
Prediction Hob 1.0
Xlogp 2.4
Molecular Formula C18H16O9
Prediction Swissadme 0.0
Inchi Key SPLCCLBYRBKYMR-UHFFFAOYSA-N
Fcsp3 0.1666666666666666
Logs -0.936
Rotatable Bond Count 4.0
Logd -0.582
Compound Name 5,7,3',4'-Tetrahydroxy-3,6,5'-trimethoxyflavone
Prediction Hob Swissadme 0.0
Exact Mass 376.079
Formal Charge 0.0
Monoisotopic Mass 376.079
Hydrogen Bond Acceptor Count 9.0
Molecular Weight 376.3
Covalent Unit Count 1.0
Total Atom Stereocenter Count 0.0
Total Bond Stereocenter Count 0.0
Esol -3.513183918518519
Inchi InChI=1S/C18H16O9/c1-24-11-5-7(4-8(19)13(11)21)16-18(26-3)15(23)12-10(27-16)6-9(20)17(25-2)14(12)22/h4-6,19-22H,1-3H3
Smiles COC1=CC(=CC(=C1O)O)C2=C(C(=O)C3=C(O2)C=C(C(=C3O)OC)O)OC
Nring 2.0
Defined Bond Stereocenter Count 0.0

  • 1. Outgoing r'ship FOUND_IN to/from Acacia Pycnantha (Plant) Rel Props:Source_db:cmaup_ingredients
  • 2. Outgoing r'ship FOUND_IN to/from Afrocarpus Falcatus (Plant) Rel Props:Source_db:cmaup_ingredients
  • 3. Outgoing r'ship FOUND_IN to/from Aloe Vulgaris (Plant) Rel Props:Source_db:cmaup_ingredients
  • 4. Outgoing r'ship FOUND_IN to/from Asterogyne Martiana (Plant) Rel Props:Source_db:cmaup_ingredients
  • 5. Outgoing r'ship FOUND_IN to/from Baccharis Magellanica (Plant) Rel Props:Source_db:cmaup_ingredients
  • 6. Outgoing r'ship FOUND_IN to/from Beilschmiedia Volckii (Plant) Rel Props:Source_db:cmaup_ingredients
  • 7. Outgoing r'ship FOUND_IN to/from Berkheya Zeyheri (Plant) Rel Props:Source_db:cmaup_ingredients
  • 8. Outgoing r'ship FOUND_IN to/from Beta Vulgaris (Plant) Rel Props:Source_db:cmaup_ingredients
  • 9. Outgoing r'ship FOUND_IN to/from Canella Winterana (Plant) Rel Props:Source_db:cmaup_ingredients
  • 10. Outgoing r'ship FOUND_IN to/from Carlina Acaulis (Plant) Rel Props:Source_db:cmaup_ingredients
  • 11. Outgoing r'ship FOUND_IN to/from Cirsium Tanakae (Plant) Rel Props:Source_db:cmaup_ingredients
  • 12. Outgoing r'ship FOUND_IN to/from Clausena Lansium (Plant) Rel Props:Source_db:cmaup_ingredients
  • 13. Outgoing r'ship FOUND_IN to/from Daphne Giraldii (Plant) Rel Props:Source_db:cmaup_ingredients
  • 14. Outgoing r'ship FOUND_IN to/from Ericameria Diffusa (Plant) Rel Props:Source_db:cmaup_ingredients
  • 15. Outgoing r'ship FOUND_IN to/from Eriostemon Thryptomenoides (Plant) Rel Props:Source_db:cmaup_ingredients
  • 16. Outgoing r'ship FOUND_IN to/from Eumorphia Sericea (Plant) Rel Props:Source_db:cmaup_ingredients
  • 17. Outgoing r'ship FOUND_IN to/from Eupatorium Birmanicum (Plant) Rel Props:Source_db:cmaup_ingredients
  • 18. Outgoing r'ship FOUND_IN to/from Flemingia Chappar (Plant) Rel Props:Source_db:cmaup_ingredients
  • 19. Outgoing r'ship FOUND_IN to/from Garcinia Pseudoguttifera (Plant) Rel Props:Source_db:cmaup_ingredients
  • 20. Outgoing r'ship FOUND_IN to/from Gutierrezia Microcephala (Plant) Rel Props:Source_db:cmaup_ingredients
  • 21. Outgoing r'ship FOUND_IN to/from Heliotropium Eichwaldii (Plant) Rel Props:Source_db:cmaup_ingredients
  • 22. Outgoing r'ship FOUND_IN to/from Ligularia Lamarum (Plant) Rel Props:Source_db:cmaup_ingredients
  • 23. Outgoing r'ship FOUND_IN to/from Lippia Mexicana (Plant) Rel Props:Source_db:cmaup_ingredients
  • 24. Outgoing r'ship FOUND_IN to/from Narcissus Obesus (Plant) Rel Props:Source_db:cmaup_ingredients
  • 25. Outgoing r'ship FOUND_IN to/from Nicotiana Debneyi (Plant) Rel Props:Source_db:cmaup_ingredients
  • 26. Outgoing r'ship FOUND_IN to/from Ocotea Pulchella (Plant) Rel Props:Source_db:cmaup_ingredients
  • 27. Outgoing r'ship FOUND_IN to/from Salvia Digitaloides (Plant) Rel Props:Source_db:cmaup_ingredients
  • 28. Outgoing r'ship FOUND_IN to/from Sophora Exigua (Plant) Rel Props:Source_db:cmaup_ingredients
  • 29. Outgoing r'ship FOUND_IN to/from Sporobolus Cynosuroides (Plant) Rel Props:Source_db:cmaup_ingredients
  • 30. Outgoing r'ship FOUND_IN to/from Thalictrum Cultratum (Plant) Rel Props:Source_db:cmaup_ingredients
  • 31. Outgoing r'ship FOUND_IN to/from Thermopsis Alpina (Plant) Rel Props:Source_db:cmaup_ingredients
  • 32. Outgoing r'ship FOUND_IN to/from Turricula Parryi (Plant) Rel Props:Source_db:cmaup_ingredients
  • 33. Outgoing r'ship FOUND_IN to/from Uncaria Laevigata (Plant) Rel Props:Source_db:cmaup_ingredients
  • 34. Outgoing r'ship FOUND_IN to/from Xanthium Pungens (Plant) Rel Props:Source_db:cmaup_ingredients
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