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(2S,3S)-3-hydroxy-2-prop-1-en-2-yl-2,3-dihydrobenzo[f][1]benzofuran-4,9-dione

PubChem CID: 10244113

Connections displayed (default: 10).
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Compound Synonyms CHEMBL469923
Topological Polar Surface Area 63.6
Hydrogen Bond Donor Count 1.0
Heavy Atom Count 19.0
Isotope Atom Count 0.0
Molecular Complexity 502.0
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 2.0
Iupac Name (2S,3S)-3-hydroxy-2-prop-1-en-2-yl-2,3-dihydrobenzo[f][1]benzofuran-4,9-dione
Prediction Hob 1.0
Xlogp 1.9
Molecular Formula C15H12O4
Prediction Swissadme 0.0
Inchi Key XLBAEJKIEVPOMT-KBPBESRZSA-N
Fcsp3 0.2
Logs -3.874
Rotatable Bond Count 1.0
Logd 2.812
Compound Name (2S,3S)-3-hydroxy-2-prop-1-en-2-yl-2,3-dihydrobenzo[f][1]benzofuran-4,9-dione
Prediction Hob Swissadme 0.0
Exact Mass 256.074
Formal Charge 0.0
Monoisotopic Mass 256.074
Hydrogen Bond Acceptor Count 4.0
Molecular Weight 256.25
Covalent Unit Count 1.0
Total Atom Stereocenter Count 2.0
Total Bond Stereocenter Count 0.0
Esol -2.768277610526316
Inchi InChI=1S/C15H12O4/c1-7(2)14-13(18)10-11(16)8-5-3-4-6-9(8)12(17)15(10)19-14/h3-6,13-14,18H,1H2,2H3/t13-,14-/m0/s1
Smiles CC(=C)[C@H]1[C@H](C2=C(O1)C(=O)C3=CC=CC=C3C2=O)O
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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