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Gancaonin C

PubChem CID: 6450959

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Compound Synonyms Gancaonin C, 124596-87-8, 5,7,4'-Trihydroxy-8-(4-hydroxyprenyl)isoflavone, 5,7-Dihydroxy-8-((E)-4-hydroxy-3-methyl-but-2-enyl)-3-(4-hydroxy-phenyl)-1-benzopyran-4-one, 5,7-dihydroxy-8-[(E)-4-hydroxy-3-methylbut-2-enyl]-3-(4-hydroxyphenyl)chromen-4-one, 5,7-dihydroxy-8-((E)-4-hydroxy-3-methylbut-2-enyl)-3-(4-hydroxyphenyl)chromen-4-one, ZWQ7SXH5WZ, CHEBI:175546, DTXSID001318280, (E)-5,7-Dihydroxy-8-(4-hydroxy-3-methylbut-2-en-1-yl)-3-(4-hydroxyphenyl)-4H-chromen-4-one, 5,7-dihydroxy-8-[(2E)-4-hydroxy-3-methylbut-2-en-1-yl]-3-(4-hydroxyphenyl)-4H-chromen-4-one, LMPK12050197, 4',5,7-Trihydroxy-8-(4-hydroxyprenyl)isoflavone, 3-(4-Hydroxyphenyl)-8-(3-methyl-4-oxidanyl-but-2-enyl)-5,7-bis(oxidanyl)chromen-4-one, 5,7-Dihydroxy-8-(4-hydroxy-3-methyl-2-butenyl)-3-(4-hydroxyphenyl)-4H-1-benzopyran-4-one, 5,7-dihydroxy-8-[(E)-4-hydroxy-3-methyl-but-2-enyl]-3-(4-hydroxyphenyl)chromen-4-one, 4H-1-Benzopyran-4-one, 5,7-dihydroxy-8-[(2E)-4-hydroxy-3-methyl-2-buten-1-yl]-3-(4-hydroxyphenyl)-, 5,7-Dihydroxy-8-[(2E)-4-hydroxy-3-methyl-2-buten-1-yl]-3-(4-hydroxyphenyl)-4H-1-benzopyran-4-one
Topological Polar Surface Area 107.0
Hydrogen Bond Donor Count 4.0
Heavy Atom Count 26.0
Description Constituent of Glycyrrhiza uralensis (Chinese licorice). Gancaonin C is found in herbs and spices.
Isotope Atom Count 0.0
Molecular Complexity 575.0
Database Name cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Iupac Name 5,7-dihydroxy-8-[(E)-4-hydroxy-3-methylbut-2-enyl]-3-(4-hydroxyphenyl)chromen-4-one
Prediction Hob 1.0
Class Isoflavonoids
Xlogp 3.3
Superclass Phenylpropanoids and polyketides
Subclass Isoflav-2-enes
Molecular Formula C20H18O6
Prediction Swissadme 0.0
Inchi Key MEADLGUPYQNUNF-BIIKFXOESA-N
Fcsp3 0.15
Logs -4.649
Rotatable Bond Count 4.0
State Solid
Logd 3.039
Synonyms 4',5,7-Trihydroxy-8-(4-hydroxyprenyl)isoflavone, 5,7-Dihydroxy-8-(4-hydroxy-3-methyl-2-butenyl)-3-(4-hydroxyphenyl)-4H-1-benzopyran-4-one, 5,7,4'-Trihydroxy-8-(4-hydroxyprenyl)isoflavone
Compound Name Gancaonin C
Kingdom Organic compounds
Prediction Hob Swissadme 0.0
Exact Mass 354.11
Formal Charge 0.0
Monoisotopic Mass 354.11
Hydrogen Bond Acceptor Count 6.0
Molecular Weight 354.4
Covalent Unit Count 1.0
Total Atom Stereocenter Count 0.0
Total Bond Stereocenter Count 1.0
Molecular Framework Aromatic heteropolycyclic compounds
Esol -3.8349042153846153
Inchi InChI=1S/C20H18O6/c1-11(9-21)2-7-14-16(23)8-17(24)18-19(25)15(10-26-20(14)18)12-3-5-13(22)6-4-12/h2-6,8,10,21-24H,7,9H2,1H3/b11-2+
Smiles C/C(=C\CC1=C2C(=C(C=C1O)O)C(=O)C(=CO2)C3=CC=C(C=C3)O)/CO
Nring 4.0
Defined Bond Stereocenter Count 1.0
Taxonomy Direct Parent Isoflavones

  • 1. Outgoing r'ship FOUND_IN to/from Aesculus Glabra (Plant) Rel Props:Reference:
  • 2. Outgoing r'ship FOUND_IN to/from Angelica Glabra (Plant) Rel Props:Reference:
  • 3. Outgoing r'ship FOUND_IN to/from Annona Glabra (Plant) Rel Props:Reference:
  • 4. Outgoing r'ship FOUND_IN to/from Aster Scaber (Plant) Rel Props:Reference:
  • 5. Outgoing r'ship FOUND_IN to/from Begonia Glabra (Plant) Rel Props:Reference:
  • 6. Outgoing r'ship FOUND_IN to/from Begonia Inflata (Plant) Rel Props:Reference:
  • 7. Outgoing r'ship FOUND_IN to/from Boswellia Glabra (Plant) Rel Props:Reference:
  • 8. Outgoing r'ship FOUND_IN to/from Bougainvillea Glabra (Plant) Rel Props:Reference:
  • 9. Outgoing r'ship FOUND_IN to/from Bryonia Scaber (Plant) Rel Props:Reference:
  • 10. Outgoing r'ship FOUND_IN to/from Cephalaria Uralensis (Plant) Rel Props:Reference:
  • 11. Outgoing r'ship FOUND_IN to/from Dioscorea Glabra (Plant) Rel Props:Reference:
  • 12. Outgoing r'ship FOUND_IN to/from Doellingeria Scaber (Plant) Rel Props:Reference:
  • 13. Outgoing r'ship FOUND_IN to/from Elephantopus Scaber (Plant) Rel Props:Reference:
  • 14. Outgoing r'ship FOUND_IN to/from Glycyrrhiza (Plant) Rel Props:Reference:
  • 15. Outgoing r'ship FOUND_IN to/from Glycyrrhiza Aspera (Plant) Rel Props:Reference:
  • 16. Outgoing r'ship FOUND_IN to/from Glycyrrhiza Echinata (Plant) Rel Props:Reference:
  • 17. Outgoing r'ship FOUND_IN to/from Glycyrrhiza Glabra (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 18. Outgoing r'ship FOUND_IN to/from Glycyrrhiza Inflata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 19. Outgoing r'ship FOUND_IN to/from Glycyrrhiza Kansuensis (Plant) Rel Props:Reference:
  • 20. Outgoing r'ship FOUND_IN to/from Glycyrrhiza Lepidota (Plant) Rel Props:Reference:
  • 21. Outgoing r'ship FOUND_IN to/from Glycyrrhiza Pallidiflora (Plant) Rel Props:Reference:
  • 22. Outgoing r'ship FOUND_IN to/from Glycyrrhiza Sp (Plant) Rel Props:Reference:
  • 23. Outgoing r'ship FOUND_IN to/from Glycyrrhiza Squamulosa (Plant) Rel Props:Reference:
  • 24. Outgoing r'ship FOUND_IN to/from Glycyrrhiza Triphylla (Plant) Rel Props:Reference:
  • 25. Outgoing r'ship FOUND_IN to/from Glycyrrhiza Uralensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 26. Outgoing r'ship FOUND_IN to/from Glycyrrhiza Yunnanensis (Plant) Rel Props:Reference:
  • 27. Outgoing r'ship FOUND_IN to/from Goupia Glabra (Plant) Rel Props:Reference:
  • 28. Outgoing r'ship FOUND_IN to/from Haemanthus Tigrinus (Plant) Rel Props:Reference:
  • 29. Outgoing r'ship FOUND_IN to/from Herniaria Glabra (Plant) Rel Props:Reference:
  • 30. Outgoing r'ship FOUND_IN to/from Hopea Glabra (Plant) Rel Props:Reference:
  • 31. Outgoing r'ship FOUND_IN to/from Horsfieldia Glabra (Plant) Rel Props:Reference:
  • 32. Outgoing r'ship FOUND_IN to/from Hypochoeris Glabra (Plant) Rel Props:Reference:
  • 33. Outgoing r'ship FOUND_IN to/from Indigofera Glabra (Plant) Rel Props:Reference:
  • 34. Outgoing r'ship FOUND_IN to/from Lobelia Inflata (Plant) Rel Props:Reference:
  • 35. Outgoing r'ship FOUND_IN to/from Malpighia Glabra (Plant) Rel Props:Reference:
  • 36. Outgoing r'ship FOUND_IN to/from Mitracarpus Scaber (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 37. Outgoing r'ship FOUND_IN to/from Mussaenda Glabra (Plant) Rel Props:Reference:
  • 38. Outgoing r'ship FOUND_IN to/from Persicaria Glabra (Plant) Rel Props:Reference:
  • 39. Outgoing r'ship FOUND_IN to/from Petunia Integrifolia (Plant) Rel Props:Reference:
  • 40. Outgoing r'ship FOUND_IN to/from Polypodium Glycyrrhiza (Plant) Rel Props:Reference:
  • 41. Outgoing r'ship FOUND_IN to/from Pongamia Glabra (Plant) Rel Props:Reference:
  • 42. Outgoing r'ship FOUND_IN to/from Sarcandra Glabra (Plant) Rel Props:Reference:
  • 43. Outgoing r'ship FOUND_IN to/from Scutellaria Glabra (Plant) Rel Props:Reference:
  • 44. Outgoing r'ship FOUND_IN to/from Silene Inflata (Plant) Rel Props:Reference:
  • 45. Outgoing r'ship FOUND_IN to/from Smilax Glabra (Plant) Rel Props:Reference:
  • 46. Outgoing r'ship FOUND_IN to/from Stephania Glabra (Plant) Rel Props:Reference:
  • 47. Outgoing r'ship FOUND_IN to/from Thermopsis Inflata (Plant) Rel Props:Reference:
  • 48. Outgoing r'ship FOUND_IN to/from Ulmus Glabra (Plant) Rel Props:Reference:
  • 49. Outgoing r'ship FOUND_IN to/from Waldheimia Glabra (Plant) Rel Props:Reference:
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