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5-hydroxy-2-(4-methoxyphenyl)-4-oxo-4H-chromen-7-olate

PubChem CID: 25202697

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Compound Synonyms 5-hydroxy-2-(4-methoxyphenyl)-4-oxo-4H-chromen-7-olate, 7-hydroxy-2-(4-methoxyphenyl)-4-oxochromen-5-olate, CHEBI:57284, Q27124394
Topological Polar Surface Area 78.8
Hydrogen Bond Donor Count 1.0
Heavy Atom Count 21.0
Isotope Atom Count 0.0
Molecular Complexity 424.0
Database Name cmaup_ingredients;pubchem
Defined Atom Stereocenter Count 0.0
Iupac Name 7-hydroxy-2-(4-methoxyphenyl)-4-oxochromen-5-olate
Prediction Hob 1.0
Xlogp 2.2
Molecular Formula C16H11O5-
Prediction Swissadme 0.0
Inchi Key DANYIYRPLHHOCZ-UHFFFAOYSA-M
Fcsp3 0.0625
Logs -3.7
Rotatable Bond Count 2.0
Logd 2.924
Compound Name 5-hydroxy-2-(4-methoxyphenyl)-4-oxo-4H-chromen-7-olate
Prediction Hob Swissadme 0.0
Exact Mass 283.061
Formal Charge -1.0
Monoisotopic Mass 283.061
Hydrogen Bond Acceptor Count 5.0
Molecular Weight 283.25
Covalent Unit Count 1.0
Total Atom Stereocenter Count 0.0
Total Bond Stereocenter Count 0.0
Esol -3.4140153238095237
Inchi InChI=1S/C16H12O5/c1-20-11-4-2-9(3-5-11)14-8-13(19)16-12(18)6-10(17)7-15(16)21-14/h2-8,17-18H,1H3/p-1
Smiles COC1=CC=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)O)[O-]
Nring 3.0
Defined Bond Stereocenter Count 0.0

  • 1. Outgoing r'ship FOUND_IN to/from Agastache Rugosus (Plant) Rel Props:Source_db:cmaup_ingredients
  • 2. Outgoing r'ship FOUND_IN to/from Ajuga Forrestii (Plant) Rel Props:Source_db:cmaup_ingredients
  • 3. Outgoing r'ship FOUND_IN to/from Aquilaria Sinensis (Plant) Rel Props:Source_db:cmaup_ingredients
  • 4. Outgoing r'ship FOUND_IN to/from Buddleja Officinalis (Plant) Rel Props:Source_db:cmaup_ingredients
  • 5. Outgoing r'ship FOUND_IN to/from Chrysanthemum Indicum (Plant) Rel Props:Source_db:cmaup_ingredients
  • 6. Outgoing r'ship FOUND_IN to/from Cirsium Setosum (Plant) Rel Props:Source_db:cmaup_ingredients
  • 7. Outgoing r'ship FOUND_IN to/from Citrus Wilsonii (Plant) Rel Props:Source_db:cmaup_ingredients
  • 8. Outgoing r'ship FOUND_IN to/from Elsholtzia Bodinieri (Plant) Rel Props:Source_db:cmaup_ingredients
  • 9. Outgoing r'ship FOUND_IN to/from Humulus Lupulus (Plant) Rel Props:Source_db:cmaup_ingredients
  • 10. Outgoing r'ship FOUND_IN to/from Lygodium Japonicum (Plant) Rel Props:Source_db:cmaup_ingredients
  • 11. Outgoing r'ship FOUND_IN to/from Lysimachia Paridiformis (Plant) Rel Props:Source_db:cmaup_ingredients
  • 12. Outgoing r'ship FOUND_IN to/from Mentha Canadensis (Plant) Rel Props:Source_db:cmaup_ingredients
  • 13. Outgoing r'ship FOUND_IN to/from Nuxia Sphaerocephala (Plant) Rel Props:Source_db:cmaup_ingredients
  • 14. Outgoing r'ship FOUND_IN to/from Robinia Pseudoacacia (Plant) Rel Props:Source_db:cmaup_ingredients
  • 15. Outgoing r'ship FOUND_IN to/from Verbascum Lychnites (Plant) Rel Props:Source_db:cmaup_ingredients
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