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(2S)-5,7,2'-Trihydroxyflavanone

PubChem CID: 13889010

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Compound Synonyms (2S)-5,7,2'-trihydroxyflavanone, CHEMBL1083820, (2S)-5,7-dihydroxy-2-(2-hydroxyphenyl)-2,3-dihydrochromen-4-one, 111199-94-1
Topological Polar Surface Area 87.0
Hydrogen Bond Donor Count 3.0
Heavy Atom Count 20.0
Isotope Atom Count 0.0
Molecular Complexity 371.0
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 1.0
Iupac Name (2S)-5,7-dihydroxy-2-(2-hydroxyphenyl)-2,3-dihydrochromen-4-one
Prediction Hob 1.0
Xlogp 2.4
Molecular Formula C15H12O5
Prediction Swissadme 0.0
Inchi Key LSLXUDALHVEMQB-ZDUSSCGKSA-N
Fcsp3 0.1333333333333333
Logs -2.16
Rotatable Bond Count 1.0
Logd 2.587
Compound Name (2S)-5,7,2'-Trihydroxyflavanone
Prediction Hob Swissadme 0.0
Exact Mass 272.068
Formal Charge 0.0
Monoisotopic Mass 272.068
Hydrogen Bond Acceptor Count 5.0
Molecular Weight 272.25
Covalent Unit Count 1.0
Total Atom Stereocenter Count 1.0
Total Bond Stereocenter Count 0.0
Esol -3.5502871999999996
Inchi InChI=1S/C15H12O5/c16-8-5-11(18)15-12(19)7-13(20-14(15)6-8)9-3-1-2-4-10(9)17/h1-6,13,16-18H,7H2/t13-/m0/s1
Smiles C1[C@H](OC2=CC(=CC(=C2C1=O)O)O)C3=CC=CC=C3O
Nring 1.0
Defined Bond Stereocenter Count 0.0

  • 1. Outgoing r'ship FOUND_IN to/from Aloe Africana (Plant) Rel Props:Reference:
  • 2. Outgoing r'ship FOUND_IN to/from Antiaris Africana (Plant) Rel Props:Reference:
  • 3. Outgoing r'ship FOUND_IN to/from Canavalia Africana (Plant) Rel Props:Reference:
  • 4. Outgoing r'ship FOUND_IN to/from Entada Africana (Plant) Rel Props:Reference:
  • 5. Outgoing r'ship FOUND_IN to/from Galenia Africana (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 6. Outgoing r'ship FOUND_IN to/from Kigelia Africana (Plant) Rel Props:Reference:
  • 7. Outgoing r'ship FOUND_IN to/from Kiggelaria Africana (Plant) Rel Props:Reference:
  • 8. Outgoing r'ship FOUND_IN to/from Mammea Africana (Plant) Rel Props:Reference:
  • 9. Outgoing r'ship FOUND_IN to/from Myrsine Africana (Plant) Rel Props:Reference:
  • 10. Outgoing r'ship FOUND_IN to/from Prosopis Africana (Plant) Rel Props:Reference:
  • 11. Outgoing r'ship FOUND_IN to/from Prunus Africana (Plant) Rel Props:Reference:
  • 12. Outgoing r'ship FOUND_IN to/from Quassia Africana (Plant) Rel Props:Reference:
  • 13. Outgoing r'ship FOUND_IN to/from Uncaria Africana (Plant) Rel Props:Reference:
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