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2-[4-[4-(5,7-Dihydroxy-4-oxochromen-2-yl)phenoxy]-3-hydroxyphenyl]-5-hydroxy-7-methylchromen-4-one

PubChem CID: 162923964

Connections displayed (default: 10).
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Topological Polar Surface Area 143.0
Hydrogen Bond Donor Count 4.0
Heavy Atom Count 40.0
Isotope Atom Count 0.0
Molecular Complexity 1030.0
Database Name cmaup_ingredients;pubchem
Defined Atom Stereocenter Count 0.0
Iupac Name 2-[4-[4-(5,7-dihydroxy-4-oxochromen-2-yl)phenoxy]-3-hydroxyphenyl]-5-hydroxy-7-methylchromen-4-one
Prediction Hob 0.0
Xlogp 6.0
Molecular Formula C31H20O9
Prediction Swissadme 0.0
Inchi Key WPAWZYUZVMGNLL-UHFFFAOYSA-N
Fcsp3 0.032258064516129
Logs -4.233
Rotatable Bond Count 4.0
Logd 2.518
Compound Name 2-[4-[4-(5,7-Dihydroxy-4-oxochromen-2-yl)phenoxy]-3-hydroxyphenyl]-5-hydroxy-7-methylchromen-4-one
Prediction Hob Swissadme 0.0
Exact Mass 536.111
Formal Charge 0.0
Monoisotopic Mass 536.111
Hydrogen Bond Acceptor Count 9.0
Molecular Weight 536.5
Covalent Unit Count 1.0
Total Atom Stereocenter Count 0.0
Total Bond Stereocenter Count 0.0
Esol -6.291450400000002
Inchi InChI=1S/C31H20O9/c1-15-8-21(34)30-24(37)14-27(40-28(30)9-15)17-4-7-25(20(33)10-17)38-19-5-2-16(3-6-19)26-13-23(36)31-22(35)11-18(32)12-29(31)39-26/h2-14,32-35H,1H3
Smiles CC1=CC(=C2C(=C1)OC(=CC2=O)C3=CC(=C(C=C3)OC4=CC=C(C=C4)C5=CC(=O)C6=C(C=C(C=C6O5)O)O)O)O
Nring 6.0
Defined Bond Stereocenter Count 0.0

  • 1. Outgoing r'ship FOUND_IN to/from Acacia Aulacocarpa (Plant) Rel Props:Source_db:cmaup_ingredients
  • 2. Outgoing r'ship FOUND_IN to/from Anemone Flaccida (Plant) Rel Props:Source_db:cmaup_ingredients
  • 3. Outgoing r'ship FOUND_IN to/from Ardisia Neriifolia (Plant) Rel Props:Source_db:cmaup_ingredients
  • 4. Outgoing r'ship FOUND_IN to/from Aspidosperma Subincanum (Plant) Rel Props:Source_db:cmaup_ingredients
  • 5. Outgoing r'ship FOUND_IN to/from Cryptocarya Aschersoniana (Plant) Rel Props:Source_db:cmaup_ingredients
  • 6. Outgoing r'ship FOUND_IN to/from Eupatorium Argentinum (Plant) Rel Props:Source_db:cmaup_ingredients
  • 7. Outgoing r'ship FOUND_IN to/from Guatteria Boliviana (Plant) Rel Props:Source_db:cmaup_ingredients
  • 8. Outgoing r'ship FOUND_IN to/from Juniperus Brevifolia (Plant) Rel Props:Source_db:cmaup_ingredients
  • 9. Outgoing r'ship FOUND_IN to/from Lonicera Japonica (Plant) Rel Props:Source_db:cmaup_ingredients
  • 10. Outgoing r'ship FOUND_IN to/from Peritassa Compta (Plant) Rel Props:Source_db:cmaup_ingredients
  • 11. Outgoing r'ship FOUND_IN to/from Psiadia Dentata (Plant) Rel Props:Source_db:cmaup_ingredients
  • 12. Outgoing r'ship FOUND_IN to/from Rheedia Acuminata (Plant) Rel Props:Source_db:cmaup_ingredients
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