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Kravanhin C

PubChem CID: 71578894

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Compound Synonyms Kravanhin C, (3aS,3bS,5aR,9aS,9bR)-3b,6,6,9a-tetramethyl-3a,5,5a,8,9,9b,10,11-octahydronaphtho(1,2-g)(1)benzofuran-2,4,7-trione, (3aS,3bS,5aR,9aS,9bR)-3b,6,6,9a-tetramethyl-3a,5,5a,8,9,9b,10,11-octahydronaphtho[1,2-g][1]benzofuran-2,4,7-trione, CHEMBL2333382, 3b,6,6,9a-Tetramethyl-5a,6,8,9,9a,9b,10,11-octahydrophenanthro(1,2-b)furan-2,4,7(3ah,3BH,5H)-trione
Topological Polar Surface Area 60.4
Hydrogen Bond Donor Count 0.0
Heavy Atom Count 24.0
Isotope Atom Count 0.0
Molecular Complexity 688.0
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 5.0
Uniprot Id n.a.
Iupac Name (3aS,3bS,5aR,9aS,9bR)-3b,6,6,9a-tetramethyl-3a,5,5a,8,9,9b,10,11-octahydronaphtho[1,2-g][1]benzofuran-2,4,7-trione
Prediction Hob 1.0
Xlogp 2.1
Molecular Formula C20H26O4
Prediction Swissadme 0.0
Inchi Key GQJIWGTZFBKKGB-ICLIJLJDSA-N
Fcsp3 0.75
Logs -3.856
Rotatable Bond Count 0.0
Logd 3.043
Compound Name Kravanhin C
Prediction Hob Swissadme 0.0
Exact Mass 330.183
Formal Charge 0.0
Monoisotopic Mass 330.183
Hydrogen Bond Acceptor Count 4.0
Molecular Weight 330.4
Covalent Unit Count 1.0
Total Atom Stereocenter Count 5.0
Total Bond Stereocenter Count 0.0
Esol -3.2368288000000005
Inchi InChI=1S/C20H26O4/c1-18(2)13-10-15(22)20(4)12(19(13,3)8-7-14(18)21)6-5-11-9-16(23)24-17(11)20/h9,12-13,17H,5-8,10H2,1-4H3/t12-,13+,17+,19-,20-/m1/s1
Smiles C[C@]12CCC(=O)C([C@@H]1CC(=O)[C@]3([C@@H]2CCC4=CC(=O)O[C@@H]43)C)(C)C
Nring 4.0
Defined Bond Stereocenter Count 0.0

  • 1. Outgoing r'ship FOUND_IN to/from Amomum Aculeatum (Plant) Rel Props:Reference:
  • 2. Outgoing r'ship FOUND_IN to/from Amomum Aromaticum (Plant) Rel Props:Reference:
  • 3. Outgoing r'ship FOUND_IN to/from Amomum Compactum (Plant) Rel Props:Reference:
  • 4. Outgoing r'ship FOUND_IN to/from Amomum Daniellii (Plant) Rel Props:Reference:
  • 5. Outgoing r'ship FOUND_IN to/from Amomum Dealbatum (Plant) Rel Props:Reference:
  • 6. Outgoing r'ship FOUND_IN to/from Amomum Kepulaga (Plant) Rel Props:Reference:
  • 7. Outgoing r'ship FOUND_IN to/from Amomum Kravanh (Plant) Rel Props:Source_db:npass_chem_all
  • 8. Outgoing r'ship FOUND_IN to/from Amomum Krervanh (Plant) Rel Props:Reference:
  • 9. Outgoing r'ship FOUND_IN to/from Amomum Longiligulare (Plant) Rel Props:Reference:
  • 10. Outgoing r'ship FOUND_IN to/from Amomum Melegueta (Plant) Rel Props:Reference:
  • 11. Outgoing r'ship FOUND_IN to/from Amomum Muricarpum (Plant) Rel Props:Reference:
  • 12. Outgoing r'ship FOUND_IN to/from Amomum Neoaurantiacum (Plant) Rel Props:Reference:
  • 13. Outgoing r'ship FOUND_IN to/from Amomum Reticulatum (Plant) Rel Props:Reference:
  • 14. Outgoing r'ship FOUND_IN to/from Amomum Subulatum (Plant) Rel Props:Reference:
  • 15. Outgoing r'ship FOUND_IN to/from Amomum Sulcatum (Plant) Rel Props:Reference:
  • 16. Outgoing r'ship FOUND_IN to/from Amomum Testaceum (Plant) Rel Props:Reference:
  • 17. Outgoing r'ship FOUND_IN to/from Amomum Villosum (Plant) Rel Props:Reference:
  • 18. Outgoing r'ship FOUND_IN to/from Amomum Xanthioides (Plant) Rel Props:Reference:
  • 19. Outgoing r'ship FOUND_IN to/from Amomum Zambesiacum (Plant) Rel Props:Reference:
  • 20. Outgoing r'ship FOUND_IN to/from Amomum Zingiber (Plant) Rel Props:Reference:
  • 21. Outgoing r'ship FOUND_IN to/from Elaichi Amomum (Plant) Rel Props:Reference:
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