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5-Hydroxy-6'',6''-dimethyl-6-(2-methylbutyryl)-4-phenylpyrano[2'',3'':7,8]coumarin

PubChem CID: 15223665

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Compound Synonyms MAB5, 5-Hydroxy-6'',6''-dimethyl-6-(2-methylbutyryl)-4-phenylpyrano[2'',3'':7,8]coumarin, CHEMBL451993, LMPK12100029, 5-hydroxy-8,8-dimethyl-6-(2-methylbutanoyl)-4-phenyl-2h-pyrano[2,3-h]chromen-2-one, NCGC00385004-01!5-hydroxy-8,8-dimethyl-6-(2-methylbutanoyl)-4-phenylpyrano[2,3-h]chromen-2-one
Topological Polar Surface Area 72.8
Hydrogen Bond Donor Count 1.0
Heavy Atom Count 30.0
Isotope Atom Count 0.0
Molecular Complexity 745.0
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Iupac Name 5-hydroxy-8,8-dimethyl-6-(2-methylbutanoyl)-4-phenylpyrano[2,3-h]chromen-2-one
Prediction Hob 1.0
Xlogp 5.3
Molecular Formula C25H24O5
Prediction Swissadme 1.0
Inchi Key YJSXHUXXMDAOCE-UHFFFAOYSA-N
Fcsp3 0.28
Logs -4.422
Rotatable Bond Count 4.0
Logd 4.349
Compound Name 5-Hydroxy-6'',6''-dimethyl-6-(2-methylbutyryl)-4-phenylpyrano[2'',3'':7,8]coumarin
Prediction Hob Swissadme 1.0
Exact Mass 404.162
Formal Charge 0.0
Monoisotopic Mass 404.162
Hydrogen Bond Acceptor Count 5.0
Molecular Weight 404.5
Covalent Unit Count 1.0
Total Atom Stereocenter Count 1.0
Total Bond Stereocenter Count 0.0
Esol -5.370031066666666
Inchi InChI=1S/C25H24O5/c1-5-14(2)21(27)20-22(28)19-17(15-9-7-6-8-10-15)13-18(26)29-23(19)16-11-12-25(3,4)30-24(16)20/h6-14,28H,5H2,1-4H3
Smiles CCC(C)C(=O)C1=C2C(=C3C(=C1O)C(=CC(=O)O3)C4=CC=CC=C4)C=CC(O2)(C)C
Nring 4.0
Defined Bond Stereocenter Count 0.0

  • 1. Outgoing r'ship FOUND_IN to/from Aloe Africana (Plant) Rel Props:Reference:
  • 2. Outgoing r'ship FOUND_IN to/from Antiaris Africana (Plant) Rel Props:Reference:
  • 3. Outgoing r'ship FOUND_IN to/from Boehmeria Siamensis (Plant) Rel Props:Reference:
  • 4. Outgoing r'ship FOUND_IN to/from Calamus Thwaitesii (Plant) Rel Props:Reference:
  • 5. Outgoing r'ship FOUND_IN to/from Calophyllum Thwaitesii (Plant) Rel Props:Reference:
  • 6. Outgoing r'ship FOUND_IN to/from Canavalia Africana (Plant) Rel Props:Reference:
  • 7. Outgoing r'ship FOUND_IN to/from Chisocheton Siamensis (Plant) Rel Props:Reference:
  • 8. Outgoing r'ship FOUND_IN to/from Clinacanthus Siamensis (Plant) Rel Props:Reference:
  • 9. Outgoing r'ship FOUND_IN to/from Entada Africana (Plant) Rel Props:Reference:
  • 10. Outgoing r'ship FOUND_IN to/from Eria Siamensis (Plant) Rel Props:Reference:
  • 11. Outgoing r'ship FOUND_IN to/from Galenia Africana (Plant) Rel Props:Reference:
  • 12. Outgoing r'ship FOUND_IN to/from Goniothalamus Thwaitesii (Plant) Rel Props:Reference:
  • 13. Outgoing r'ship FOUND_IN to/from Kigelia Africana (Plant) Rel Props:Reference:
  • 14. Outgoing r'ship FOUND_IN to/from Kiggelaria Africana (Plant) Rel Props:Reference:
  • 15. Outgoing r'ship FOUND_IN to/from Mammea Africana (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 16. Outgoing r'ship FOUND_IN to/from Mammea Americana (Plant) Rel Props:Reference:
  • 17. Outgoing r'ship FOUND_IN to/from Mammea Longifolia (Plant) Rel Props:Reference:
  • 18. Outgoing r'ship FOUND_IN to/from Mammea Siamensis (Plant) Rel Props:Source_db:cmaup_ingredients
  • 19. Outgoing r'ship FOUND_IN to/from Mammea Suriga (Plant) Rel Props:Reference:
  • 20. Outgoing r'ship FOUND_IN to/from Mesua Beccariana (Plant) Rel Props:Reference:
  • 21. Outgoing r'ship FOUND_IN to/from Mesua Elegans (Plant) Rel Props:Reference:
  • 22. Outgoing r'ship FOUND_IN to/from Mesua Ferrea (Plant) Rel Props:Reference:
  • 23. Outgoing r'ship FOUND_IN to/from Mesua Racemosa (Plant) Rel Props:Reference:
  • 24. Outgoing r'ship FOUND_IN to/from Murraya Siamensis (Plant) Rel Props:Reference:
  • 25. Outgoing r'ship FOUND_IN to/from Myrsine Africana (Plant) Rel Props:Reference:
  • 26. Outgoing r'ship FOUND_IN to/from Pandanus Thwaitesii (Plant) Rel Props:Reference:
  • 27. Outgoing r'ship FOUND_IN to/from Prosopis Africana (Plant) Rel Props:Reference:
  • 28. Outgoing r'ship FOUND_IN to/from Prunus Africana (Plant) Rel Props:Reference:
  • 29. Outgoing r'ship FOUND_IN to/from Quassia Africana (Plant) Rel Props:Reference:
  • 30. Outgoing r'ship FOUND_IN to/from Uncaria Africana (Plant) Rel Props:Reference:
  • 31. Outgoing r'ship FOUND_IN to/from Zehneria Thwaitesii (Plant) Rel Props:Reference:
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