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Mammea B/BB, (-)-

PubChem CID: 53320112

Connections displayed (default: 10).
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Compound Synonyms Mammea B/BB, CHEBI:69989, (-)-Mammea B/Bb, Mammea B/BB, (-)-, CHEMBL1689184, 5022-20-8, DTXSID101318245, BDBM50483560, Q27138333
Topological Polar Surface Area 83.8
Hydrogen Bond Donor Count 2.0
Heavy Atom Count 27.0
Isotope Atom Count 0.0
Molecular Complexity 616.0
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 1.0
Uniprot Id Q99814
Iupac Name 5,7-dihydroxy-8-[(2S)-2-methylbutanoyl]-6-(3-methylbut-2-enyl)-4-propylchromen-2-one
Prediction Hob 1.0
Xlogp 5.6
Molecular Formula C22H28O5
Prediction Swissadme 1.0
Inchi Key FSOGIJPGPZWNGO-ZDUSSCGKSA-N
Fcsp3 0.4545454545454545
Logs -4.249
Rotatable Bond Count 7.0
Logd 3.737
Compound Name Mammea B/BB, (-)-
Prediction Hob Swissadme 1.0
Exact Mass 372.194
Formal Charge 0.0
Monoisotopic Mass 372.194
Hydrogen Bond Acceptor Count 5.0
Molecular Weight 372.5
Covalent Unit Count 1.0
Total Atom Stereocenter Count 1.0
Total Bond Stereocenter Count 0.0
Esol -5.079832274074074
Inchi InChI=1S/C22H28O5/c1-6-8-14-11-16(23)27-22-17(14)20(25)15(10-9-12(3)4)21(26)18(22)19(24)13(5)7-2/h9,11,13,25-26H,6-8,10H2,1-5H3/t13-/m0/s1
Smiles CCCC1=CC(=O)OC2=C1C(=C(C(=C2C(=O)[C@@H](C)CC)O)CC=C(C)C)O
Nring 2.0
Defined Bond Stereocenter Count 0.0

  • 1. Outgoing r'ship FOUND_IN to/from Agave Americana (Plant) Rel Props:Reference:
  • 2. Outgoing r'ship FOUND_IN to/from Brunfelsia Americana (Plant) Rel Props:Reference:
  • 3. Outgoing r'ship FOUND_IN to/from Cordia Americana (Plant) Rel Props:Reference:
  • 4. Outgoing r'ship FOUND_IN to/from Erythrina Americana (Plant) Rel Props:Reference:
  • 5. Outgoing r'ship FOUND_IN to/from Genipa Americana (Plant) Rel Props:Reference:
  • 6. Outgoing r'ship FOUND_IN to/from Mammea Africana (Plant) Rel Props:Reference:
  • 7. Outgoing r'ship FOUND_IN to/from Mammea Americana (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 8. Outgoing r'ship FOUND_IN to/from Mammea Longifolia (Plant) Rel Props:Reference:
  • 9. Outgoing r'ship FOUND_IN to/from Mammea Siamensis (Plant) Rel Props:Reference:
  • 10. Outgoing r'ship FOUND_IN to/from Mammea Suriga (Plant) Rel Props:Reference:
  • 11. Outgoing r'ship FOUND_IN to/from Persea Americana (Plant) Rel Props:Reference:
  • 12. Outgoing r'ship FOUND_IN to/from Phytolacca Americana (Plant) Rel Props:Reference:
  • 13. Outgoing r'ship FOUND_IN to/from Ulmus Americana (Plant) Rel Props:Reference:
  • 14. Outgoing r'ship FOUND_IN to/from Waltheria Americana (Plant) Rel Props:Reference:
  • 15. Outgoing r'ship FOUND_IN to/from Ximenia Americana (Plant) Rel Props:Reference:
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