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Macaflavanone C

PubChem CID: 25155069

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Compound Synonyms Macaflavanone C, (2S)-5,7-dihydroxy-2-((2S)-8-hydroxy-2-methyl-2-(4-methylpent-3-enyl)chromen-5-yl)-6-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one, (2S)-5,7-dihydroxy-2-[(2S)-8-hydroxy-2-methyl-2-(4-methylpent-3-enyl)chromen-5-yl]-6-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one, CHEMBL572684, 1076245-30-1
Prediction Swissadme 0.0
Topological Polar Surface Area 96.2
Hydrogen Bond Donor Count 3.0
Inchi Key URMUEILYNQBSDZ-QCDSWUKFSA-N
Fcsp3 0.3666666666666666
Rotatable Bond Count 6.0
Heavy Atom Count 36.0
Compound Name Macaflavanone C
Prediction Hob Swissadme 0.0
Exact Mass 490.236
Formal Charge 0.0
Monoisotopic Mass 490.236
Isotope Atom Count 0.0
Molecular Complexity 884.0
Hydrogen Bond Acceptor Count 6.0
Molecular Weight 490.6
Database Name cmaup_ingredients;pubchem
Covalent Unit Count 1.0
Defined Atom Stereocenter Count 2.0
Iupac Name (2S)-5,7-dihydroxy-2-[(2S)-8-hydroxy-2-methyl-2-(4-methylpent-3-enyl)chromen-5-yl]-6-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
Total Atom Stereocenter Count 2.0
Total Bond Stereocenter Count 0.0
Prediction Hob 0.0
Esol -7.262061866666669
Inchi InChI=1S/C30H34O6/c1-17(2)7-6-13-30(5)14-12-20-19(10-11-22(31)29(20)36-30)25-16-24(33)27-26(35-25)15-23(32)21(28(27)34)9-8-18(3)4/h7-8,10-12,14-15,25,31-32,34H,6,9,13,16H2,1-5H3/t25-,30-/m0/s1
Smiles CC(=CCC[C@]1(C=CC2=C(C=CC(=C2O1)O)[C@@H]3CC(=O)C4=C(O3)C=C(C(=C4O)CC=C(C)C)O)C)C
Xlogp 7.2
Defined Bond Stereocenter Count 0.0
Molecular Formula C30H34O6

  • 1. Outgoing r'ship FOUND_IN to/from Calodendrum Capense (Plant) Rel Props:Source_db:cmaup_ingredients
  • 2. Outgoing r'ship FOUND_IN to/from Croton Caudatus (Plant) Rel Props:Source_db:cmaup_ingredients
  • 3. Outgoing r'ship FOUND_IN to/from Elaeocarpus Fuscoides (Plant) Rel Props:Source_db:cmaup_ingredients
  • 4. Outgoing r'ship FOUND_IN to/from Jacobaea Adonidifolia (Plant) Rel Props:Source_db:cmaup_ingredients
  • 5. Outgoing r'ship FOUND_IN to/from Macaranga Tanarius (Plant) Rel Props:Source_db:cmaup_ingredients
  • 6. Outgoing r'ship FOUND_IN to/from Meconopsis Horridula (Plant) Rel Props:Source_db:cmaup_ingredients
  • 7. Outgoing r'ship FOUND_IN to/from Oxera Splendida (Plant) Rel Props:Source_db:cmaup_ingredients
  • 8. Outgoing r'ship FOUND_IN to/from Stevia Purpurea (Plant) Rel Props:Source_db:cmaup_ingredients
  • 9. Outgoing r'ship FOUND_IN to/from Swartzia Madagascariensis (Plant) Rel Props:Source_db:cmaup_ingredients
  • 10. Outgoing r'ship FOUND_IN to/from Vitex Pinnata (Plant) Rel Props:Source_db:cmaup_ingredients
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