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Mammea F/BB, (-)-

PubChem CID: 51040687

Connections displayed (default: 10).
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Compound Synonyms CHEBI:69980, Mammea F/BB, (-)-, CHEMBL1689175, BDBM50483554, Q27138324
Topological Polar Surface Area 104.0
Hydrogen Bond Donor Count 3.0
Heavy Atom Count 30.0
Isotope Atom Count 0.0
Molecular Complexity 677.0
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 2.0
Uniprot Id Q99814
Iupac Name 5,7-dihydroxy-4-[(1S)-1-hydroxypentyl]-8-[(2S)-2-methylbutanoyl]-6-(3-methylbut-2-enyl)chromen-2-one
Prediction Hob 1.0
Xlogp 5.3
Molecular Formula C24H32O6
Prediction Swissadme 0.0
Inchi Key SHDUHTPASIJRFI-YOEHRIQHSA-N
Fcsp3 0.5
Logs -3.699
Rotatable Bond Count 9.0
Logd 3.578
Compound Name Mammea F/BB, (-)-
Prediction Hob Swissadme 0.0
Exact Mass 416.22
Formal Charge 0.0
Monoisotopic Mass 416.22
Hydrogen Bond Acceptor Count 6.0
Molecular Weight 416.5
Covalent Unit Count 1.0
Total Atom Stereocenter Count 2.0
Total Bond Stereocenter Count 0.0
Esol -4.947853466666667
Inchi InChI=1S/C24H32O6/c1-6-8-9-17(25)16-12-18(26)30-24-19(16)22(28)15(11-10-13(3)4)23(29)20(24)21(27)14(5)7-2/h10,12,14,17,25,28-29H,6-9,11H2,1-5H3/t14-,17-/m0/s1
Smiles CCCC[C@@H](C1=CC(=O)OC2=C1C(=C(C(=C2C(=O)[C@@H](C)CC)O)CC=C(C)C)O)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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