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Muricin D

PubChem CID: 10897073

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Compound Synonyms muricin D, (2S)-4-((2R)-2-hydroxy-12-((2R,5S)-5-((1S)-1,4,5-trihydroxydodecyl)oxolan-2-yl)dodecyl)-2-methyl-2H-furan-5-one, (2S)-4-[(2R)-2-hydroxy-12-[(2R,5S)-5-[(1S)-1,4,5-trihydroxydodecyl]oxolan-2-yl]dodecyl]-2-methyl-2H-furan-5-one, CHEMBL458590, SCHEMBL5352843, CHEBI:176099, (2S)-4-[(2R)-2-hydroxy-12-[(2R,5S)-5-[(1S)-1,4,5-trihydroxydodecyl]oxolan-2-yl]dodecyl]-2-methyl-2H-uran-5-one, 358722-29-9
Topological Polar Surface Area 116.0
Hydrogen Bond Donor Count 4.0
Heavy Atom Count 40.0
Isotope Atom Count 0.0
Molecular Complexity 696.0
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 5.0
Uniprot Id n.a.
Iupac Name (2S)-4-[(2R)-2-hydroxy-12-[(2R,5S)-5-[(1S)-1,4,5-trihydroxydodecyl]oxolan-2-yl]dodecyl]-2-methyl-2H-furan-5-one
Prediction Hob 0.0
Xlogp 7.7
Molecular Formula C33H60O7
Prediction Swissadme 0.0
Inchi Key WYLPUBYVBIPLKH-SWOVDYHRSA-N
Fcsp3 0.9090909090909092
Logs -4.623
Rotatable Bond Count 24.0
Logd 4.587
Compound Name Muricin D
Prediction Hob Swissadme 0.0
Exact Mass 568.434
Formal Charge 0.0
Monoisotopic Mass 568.434
Hydrogen Bond Acceptor Count 7.0
Molecular Weight 568.8
Covalent Unit Count 1.0
Total Atom Stereocenter Count 7.0
Total Bond Stereocenter Count 0.0
Esol -6.633783200000003
Inchi InChI=1S/C33H60O7/c1-3-4-5-10-15-18-29(35)30(36)20-21-31(37)32-22-19-28(40-32)17-14-12-9-7-6-8-11-13-16-27(34)24-26-23-25(2)39-33(26)38/h23,25,27-32,34-37H,3-22,24H2,1-2H3/t25-,27+,28+,29?,30?,31-,32-/m0/s1
Smiles CCCCCCCC(C(CC[C@@H]([C@@H]1CC[C@H](O1)CCCCCCCCCC[C@H](CC2=C[C@@H](OC2=O)C)O)O)O)O
Nring 2.0
Defined Bond Stereocenter Count 0.0

  • 1. Outgoing r'ship FOUND_IN to/from Amberboa Muricata (Plant) Rel Props:Reference:
  • 2. Outgoing r'ship FOUND_IN to/from Annona Atemoya (Plant) Rel Props:Reference:
  • 3. Outgoing r'ship FOUND_IN to/from Annona Bullata (Plant) Rel Props:Reference:
  • 4. Outgoing r'ship FOUND_IN to/from Annona Cherimola (Plant) Rel Props:Reference:
  • 5. Outgoing r'ship FOUND_IN to/from Annona Cherimolia (Plant) Rel Props:Reference:
  • 6. Outgoing r'ship FOUND_IN to/from Annona Cornifolia (Plant) Rel Props:Reference:
  • 7. Outgoing r'ship FOUND_IN to/from Annona Glabra (Plant) Rel Props:Reference:
  • 8. Outgoing r'ship FOUND_IN to/from Annona Haematantha (Plant) Rel Props:Reference:
  • 9. Outgoing r'ship FOUND_IN to/from Annona Impressivenia (Plant) Rel Props:Reference:
  • 10. Outgoing r'ship FOUND_IN to/from Annona Montana (Plant) Rel Props:Reference:
  • 11. Outgoing r'ship FOUND_IN to/from Annona Muricata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 12. Outgoing r'ship FOUND_IN to/from Annona Purpurea (Plant) Rel Props:Reference:
  • 13. Outgoing r'ship FOUND_IN to/from Annona Rensoniana (Plant) Rel Props:Reference:
  • 14. Outgoing r'ship FOUND_IN to/from Annona Reticulata (Plant) Rel Props:Reference:
  • 15. Outgoing r'ship FOUND_IN to/from Annona Spinescens (Plant) Rel Props:Reference:
  • 16. Outgoing r'ship FOUND_IN to/from Annona Squamosa (Plant) Rel Props:Reference:
  • 17. Outgoing r'ship FOUND_IN to/from Annona Stenophylla (Plant) Rel Props:Reference:
  • 18. Outgoing r'ship FOUND_IN to/from Banisteriopsis Muricata (Plant) Rel Props:Reference:
  • 19. Outgoing r'ship FOUND_IN to/from Bassia Muricata (Plant) Rel Props:Reference:
  • 20. Outgoing r'ship FOUND_IN to/from Digera Muricata (Plant) Rel Props:Reference:
  • 21. Outgoing r'ship FOUND_IN to/from Ipomoea Muricata (Plant) Rel Props:Reference:
  • 22. Outgoing r'ship FOUND_IN to/from Oxytropis Muricata (Plant) Rel Props:Reference:
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