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9-Methoxy-alpha-lapachone

PubChem CID: 442754

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Compound Synonyms 9-Methoxy-alpha-lapachone, 35241-80-6, 9-methoxy-2,2-dimethyl-3,4-dihydrobenzo[g]chromene-5,10-dione, CHEBI:2336, 9-methoxy-2,2-dimethyl-3,4-dihydro-2H-benzo[g]chromene-5,10-dione, 3,4-Dihydro-9-methoxy-2,2-dimethyl-2H-naphtho[2,3-b]pyran-5,10-dione, 9-Methoxy--lapachone, 9-Methoxy-, A-lapachone, 9-METHOXY-?-LAPACHONE, CHEMBL471808, DTXSID70331939, AKOS032948773, FS-9789, CS-0023327, Q27105636
Topological Polar Surface Area 52.6
Hydrogen Bond Donor Count 0.0
Heavy Atom Count 20.0
Isotope Atom Count 0.0
Molecular Complexity 489.0
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Iupac Name 9-methoxy-2,2-dimethyl-3,4-dihydrobenzo[g]chromene-5,10-dione
Prediction Hob 1.0
Xlogp 2.6
Molecular Formula C16H16O4
Prediction Swissadme 1.0
Inchi Key PZZDIQYEWIHAEX-UHFFFAOYSA-N
Fcsp3 0.375
Logs -3.563
Rotatable Bond Count 1.0
Logd 3.43
Compound Name 9-Methoxy-alpha-lapachone
Prediction Hob Swissadme 1.0
Exact Mass 272.105
Formal Charge 0.0
Monoisotopic Mass 272.105
Hydrogen Bond Acceptor Count 4.0
Molecular Weight 272.29
Covalent Unit Count 1.0
Total Atom Stereocenter Count 0.0
Total Bond Stereocenter Count 0.0
Esol -3.3348600000000004
Inchi InChI=1S/C16H16O4/c1-16(2)8-7-10-13(17)9-5-4-6-11(19-3)12(9)14(18)15(10)20-16/h4-6H,7-8H2,1-3H3
Smiles CC1(CCC2=C(O1)C(=O)C3=C(C2=O)C=CC=C3OC)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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