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(4S)-4-hydroxy-2,2-dimethyl-3,4-dihydrobenzo[g]chromene-5,10-dione

PubChem CID: 10061048

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Compound Synonyms CHEMBL471807
Topological Polar Surface Area 63.6
Hydrogen Bond Donor Count 1.0
Heavy Atom Count 19.0
Isotope Atom Count 0.0
Molecular Complexity 475.0
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 1.0
Iupac Name (4S)-4-hydroxy-2,2-dimethyl-3,4-dihydrobenzo[g]chromene-5,10-dione
Prediction Hob 1.0
Xlogp 1.5
Molecular Formula C15H14O4
Prediction Swissadme 0.0
Inchi Key KHDNNHZLJJJVFO-JTQLQIEISA-N
Fcsp3 0.3333333333333333
Logs -3.909
Rotatable Bond Count 0.0
Logd 2.544
Compound Name (4S)-4-hydroxy-2,2-dimethyl-3,4-dihydrobenzo[g]chromene-5,10-dione
Prediction Hob Swissadme 0.0
Exact Mass 258.089
Formal Charge 0.0
Monoisotopic Mass 258.089
Hydrogen Bond Acceptor Count 4.0
Molecular Weight 258.269
Covalent Unit Count 1.0
Total Atom Stereocenter Count 1.0
Total Bond Stereocenter Count 0.0
Esol -2.6451768105263156
Inchi InChI=1S/C15H14O4/c1-15(2)7-10(16)11-12(17)8-5-3-4-6-9(8)13(18)14(11)19-15/h3-6,10,16H,7H2,1-2H3/t10-/m0/s1
Smiles CC1(C[C@@H](C2=C(O1)C(=O)C3=CC=CC=C3C2=O)O)C
Nring 3.0
Defined Bond Stereocenter Count 0.0

  • 1. Outgoing r'ship FOUND_IN to/from Anisomeles Ovata (Plant) Rel Props:Reference:
  • 2. Outgoing r'ship FOUND_IN to/from Briedelia Ovata (Plant) Rel Props:Reference:
  • 3. Outgoing r'ship FOUND_IN to/from Carya Ovata (Plant) Rel Props:Reference:
  • 4. Outgoing r'ship FOUND_IN to/from Casearia Ovata (Plant) Rel Props:Reference:
  • 5. Outgoing r'ship FOUND_IN to/from Cassia Ovata (Plant) Rel Props:Reference:
  • 6. Outgoing r'ship FOUND_IN to/from Catalpa Bignonioides (Plant) Rel Props:Reference:
  • 7. Outgoing r'ship FOUND_IN to/from Catalpa Ovata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 8. Outgoing r'ship FOUND_IN to/from Codonopsis Ovata (Plant) Rel Props:Reference:
  • 9. Outgoing r'ship FOUND_IN to/from Eucalyptus Ovata (Plant) Rel Props:Reference:
  • 10. Outgoing r'ship FOUND_IN to/from Fimbristylis Ovata (Plant) Rel Props:Reference:
  • 11. Outgoing r'ship FOUND_IN to/from Gymnosporia Ovata (Plant) Rel Props:Reference:
  • 12. Outgoing r'ship FOUND_IN to/from Lagenandra Ovata (Plant) Rel Props:Reference:
  • 13. Outgoing r'ship FOUND_IN to/from Magnolia Ovata (Plant) Rel Props:Reference:
  • 14. Outgoing r'ship FOUND_IN to/from Plantago Ovata (Plant) Rel Props:Reference:
  • 15. Outgoing r'ship FOUND_IN to/from Sida Ovata (Plant) Rel Props:Reference:
  • 16. Outgoing r'ship FOUND_IN to/from Tournefortia Ovata (Plant) Rel Props:Reference:
  • 17. Outgoing r'ship FOUND_IN to/from Tylophora Ovata (Plant) Rel Props:Reference:
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