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5-Hydroxy-3-[5-hydroxy-7-methoxy-2-(4-methoxyphenyl)-4-oxochromen-6-yl]-7-methoxy-2-(4-methoxyphenyl)chromen-4-one

PubChem CID: 12087758

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Topological Polar Surface Area 130.0
Hydrogen Bond Donor Count 2.0
Heavy Atom Count 44.0
Isotope Atom Count 0.0
Molecular Complexity 1120.0
Database Name cmaup_ingredients;pubchem
Defined Atom Stereocenter Count 0.0
Iupac Name 5-hydroxy-3-[5-hydroxy-7-methoxy-2-(4-methoxyphenyl)-4-oxochromen-6-yl]-7-methoxy-2-(4-methoxyphenyl)chromen-4-one
Prediction Hob 1.0
Xlogp 6.4
Molecular Formula C34H26O10
Prediction Swissadme 0.0
Inchi Key HOAUCAJOHGDHDA-UHFFFAOYSA-N
Fcsp3 0.1176470588235294
Logs -4.769
Rotatable Bond Count 7.0
Logd 2.43
Compound Name 5-Hydroxy-3-[5-hydroxy-7-methoxy-2-(4-methoxyphenyl)-4-oxochromen-6-yl]-7-methoxy-2-(4-methoxyphenyl)chromen-4-one
Prediction Hob Swissadme 0.0
Exact Mass 594.153
Formal Charge 0.0
Monoisotopic Mass 594.153
Hydrogen Bond Acceptor Count 10.0
Molecular Weight 594.6
Covalent Unit Count 1.0
Total Atom Stereocenter Count 0.0
Total Bond Stereocenter Count 0.0
Esol -6.94782821818182
Inchi InChI=1S/C34H26O10/c1-39-19-9-5-17(6-10-19)24-15-23(36)29-27(43-24)16-25(42-4)30(32(29)37)31-33(38)28-22(35)13-21(41-3)14-26(28)44-34(31)18-7-11-20(40-2)12-8-18/h5-16,35,37H,1-4H3
Smiles COC1=CC=C(C=C1)C2=CC(=O)C3=C(C(=C(C=C3O2)OC)C4=C(OC5=CC(=CC(=C5C4=O)O)OC)C6=CC=C(C=C6)OC)O
Nring 6.0
Defined Bond Stereocenter Count 0.0

  • 1. Outgoing r'ship FOUND_IN to/from Acronychia Muelleri (Plant) Rel Props:Source_db:cmaup_ingredients
  • 2. Outgoing r'ship FOUND_IN to/from Anaxagorea Luzonensis (Plant) Rel Props:Source_db:cmaup_ingredients
  • 3. Outgoing r'ship FOUND_IN to/from Argyreia Nervosa (Plant) Rel Props:Source_db:cmaup_ingredients
  • 4. Outgoing r'ship FOUND_IN to/from Bupleurum Scorzonerifolium (Plant) Rel Props:Source_db:cmaup_ingredients
  • 5. Outgoing r'ship FOUND_IN to/from Carapichea Ipecacuanha (Plant) Rel Props:Source_db:cmaup_ingredients
  • 6. Outgoing r'ship FOUND_IN to/from Croton Regelianus (Plant) Rel Props:Source_db:cmaup_ingredients
  • 7. Outgoing r'ship FOUND_IN to/from Elettaria Cardamomum (Plant) Rel Props:Source_db:cmaup_ingredients
  • 8. Outgoing r'ship FOUND_IN to/from Lathyrus Aphaca (Plant) Rel Props:Source_db:cmaup_ingredients
  • 9. Outgoing r'ship FOUND_IN to/from Melianthus Major (Plant) Rel Props:Source_db:cmaup_ingredients
  • 10. Outgoing r'ship FOUND_IN to/from Phelipanche Arenaria (Plant) Rel Props:Source_db:cmaup_ingredients
  • 11. Outgoing r'ship FOUND_IN to/from Phoradendron Reichenbachianum (Plant) Rel Props:Source_db:cmaup_ingredients
  • 12. Outgoing r'ship FOUND_IN to/from Stephania Tetrandra (Plant) Rel Props:Source_db:cmaup_ingredients
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