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Leucasperone B

PubChem CID: 11844108

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Compound Synonyms Leucasperone B, CHEMBL496237, 907595-29-3
Prediction Swissadme 0.0
Topological Polar Surface Area 110.0
Hydrogen Bond Donor Count 2.0
Inchi Key QIFOGQJGAIFKAU-CPWZQVCFSA-N
Fcsp3 0.7083333333333334
Rotatable Bond Count 9.0
Heavy Atom Count 31.0
Compound Name Leucasperone B
Prediction Hob Swissadme 0.0
Exact Mass 436.246
Formal Charge 0.0
Monoisotopic Mass 436.246
Isotope Atom Count 0.0
Molecular Complexity 800.0
Hydrogen Bond Acceptor Count 7.0
Molecular Weight 436.5
Database Name cmaup_ingredients;npass_chem_all;pubchem
Covalent Unit Count 1.0
Defined Atom Stereocenter Count 4.0
Iupac Name [(1S,5S,6S,8R)-8-acetyloxy-5-(1,3-dihydroxy-3-methylpent-4-enyl)-1,5,6-trimethyl-2-oxo-4,6,7,8-tetrahydro-3H-naphthalen-1-yl]methyl acetate
Total Atom Stereocenter Count 6.0
Total Bond Stereocenter Count 0.0
Prediction Hob 1.0
Esol -2.784179000000001
Inchi InChI=1S/C24H36O7/c1-8-22(5,29)12-20(28)24(7)14(2)11-18(31-16(4)26)21-17(24)9-10-19(27)23(21,6)13-30-15(3)25/h8,14,18,20,28-29H,1,9-13H2,2-7H3/t14-,18+,20?,22?,23-,24-/m0/s1
Smiles C[C@H]1C[C@H](C2=C([C@@]1(C)C(CC(C)(C=C)O)O)CCC(=O)[C@]2(C)COC(=O)C)OC(=O)C
Xlogp 1.3
Defined Bond Stereocenter Count 0.0
Molecular Formula C24H36O7

  • 1. Outgoing r'ship FOUND_IN to/from Achyranthes Aspera (Plant) Rel Props:Reference:
  • 2. Outgoing r'ship FOUND_IN to/from Centaurea Aspera (Plant) Rel Props:Reference:
  • 3. Outgoing r'ship FOUND_IN to/from Ehretia Aspera (Plant) Rel Props:Reference:
  • 4. Outgoing r'ship FOUND_IN to/from Glycyrrhiza Aspera (Plant) Rel Props:Reference:
  • 5. Outgoing r'ship FOUND_IN to/from Hydrangea Aspera (Plant) Rel Props:Reference:
  • 6. Outgoing r'ship FOUND_IN to/from Leucas Aspera (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 7. Outgoing r'ship FOUND_IN to/from Leucas Cephalotes (Plant) Rel Props:Reference:
  • 8. Outgoing r'ship FOUND_IN to/from Leucas Cephotes (Plant) Rel Props:Reference:
  • 9. Outgoing r'ship FOUND_IN to/from Leucas Eriostoma (Plant) Rel Props:Reference:
  • 10. Outgoing r'ship FOUND_IN to/from Leucas Indica (Plant) Rel Props:Reference:
  • 11. Outgoing r'ship FOUND_IN to/from Leucas Lanata (Plant) Rel Props:Reference:
  • 12. Outgoing r'ship FOUND_IN to/from Leucas Lavandulaefolia (Plant) Rel Props:Reference:
  • 13. Outgoing r'ship FOUND_IN to/from Leucas Lavandulifolia (Plant) Rel Props:Reference:
  • 14. Outgoing r'ship FOUND_IN to/from Leucas Linifolia (Plant) Rel Props:Reference:
  • 15. Outgoing r'ship FOUND_IN to/from Leucas Martinicensis (Plant) Rel Props:Reference:
  • 16. Outgoing r'ship FOUND_IN to/from Leucas Neufliseana (Plant) Rel Props:Reference:
  • 17. Outgoing r'ship FOUND_IN to/from Leucas Stelligera (Plant) Rel Props:Reference:
  • 18. Outgoing r'ship FOUND_IN to/from Leucas Stricta (Plant) Rel Props:Reference:
  • 19. Outgoing r'ship FOUND_IN to/from Leucas Urticaefolia (Plant) Rel Props:Reference:
  • 20. Outgoing r'ship FOUND_IN to/from Leucas Urticifolia (Plant) Rel Props:Reference:
  • 21. Outgoing r'ship FOUND_IN to/from Leucas Volkensii (Plant) Rel Props:Reference:
  • 22. Outgoing r'ship FOUND_IN to/from Osbeckia Aspera (Plant) Rel Props:Reference:
  • 23. Outgoing r'ship FOUND_IN to/from Smilax Aspera (Plant) Rel Props:Reference:
  • 24. Outgoing r'ship FOUND_IN to/from Sterblus Aspera (Plant) Rel Props:Reference:
  • 25. Outgoing r'ship FOUND_IN to/from Trophis Aspera (Plant) Rel Props:Reference:
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