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5''-Methoxyhydnocarpin-D

PubChem CID: 12051137

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Compound Synonyms 5''-methoxyhydnocarpin-D, CHEBI:69451, 5,7-dihydroxy-2-[(2R,3R)-3-(4-hydroxy-3,5-dimethoxyphenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]chromen-4-one, 5,7-dihydroxy-2-((2R,3R)-3-(4-hydroxy-3,5-dimethoxyphenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl)chromen-4-one, CHEMBL316287, Q27137787
Topological Polar Surface Area 144.0
Hydrogen Bond Donor Count 4.0
Heavy Atom Count 36.0
Isotope Atom Count 0.0
Molecular Complexity 805.0
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 2.0
Iupac Name 5,7-dihydroxy-2-[(2R,3R)-3-(4-hydroxy-3,5-dimethoxyphenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]chromen-4-one
Prediction Hob 0.0
Xlogp 3.2
Molecular Formula C26H22O10
Prediction Swissadme 0.0
Inchi Key XBXVVTMNRUIPIX-ZEQKJWHPSA-N
Fcsp3 0.1923076923076923
Logs -4.487
Rotatable Bond Count 5.0
Logd 2.711
Compound Name 5''-Methoxyhydnocarpin-D
Prediction Hob Swissadme 0.0
Exact Mass 494.121
Formal Charge 0.0
Monoisotopic Mass 494.121
Hydrogen Bond Acceptor Count 10.0
Molecular Weight 494.4
Covalent Unit Count 1.0
Total Atom Stereocenter Count 2.0
Total Bond Stereocenter Count 0.0
Esol -4.571324622222223
Inchi InChI=1S/C26H22O10/c1-32-21-6-13(7-22(33-2)25(21)31)26-23(11-27)34-17-4-3-12(5-19(17)36-26)18-10-16(30)24-15(29)8-14(28)9-20(24)35-18/h3-10,23,26-29,31H,11H2,1-2H3/t23-,26-/m1/s1
Smiles COC1=CC(=CC(=C1O)OC)[C@@H]2[C@H](OC3=C(O2)C=C(C=C3)C4=CC(=O)C5=C(C=C(C=C5O4)O)O)CO
Nring 5.0
Defined Bond Stereocenter Count 0.0

  • 1. Outgoing r'ship FOUND_IN to/from Mimosa Abstergens (Plant) Rel Props:Reference:
  • 2. Outgoing r'ship FOUND_IN to/from Mimosa Amara (Plant) Rel Props:Reference:
  • 3. Outgoing r'ship FOUND_IN to/from Mimosa Diplotricha (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 4. Outgoing r'ship FOUND_IN to/from Mimosa Elengi (Plant) Rel Props:Reference:
  • 5. Outgoing r'ship FOUND_IN to/from Mimosa Hamata (Plant) Rel Props:Reference:
  • 6. Outgoing r'ship FOUND_IN to/from Mimosa Invisa (Plant) Rel Props:Reference:
  • 7. Outgoing r'ship FOUND_IN to/from Mimosa Pigra (Plant) Rel Props:Reference:
  • 8. Outgoing r'ship FOUND_IN to/from Mimosa Pudica (Plant) Rel Props:Reference:
  • 9. Outgoing r'ship FOUND_IN to/from Mimosa Rubicaulis (Plant) Rel Props:Reference:
  • 10. Outgoing r'ship FOUND_IN to/from Mimosa Spinisilqua (Plant) Rel Props:Reference:
  • 11. Outgoing r'ship FOUND_IN to/from Mimosa Suma (Plant) Rel Props:Reference:
  • 12. Outgoing r'ship FOUND_IN to/from Mimosa Tenuiflora (Plant) Rel Props:Reference:
  • 13. Outgoing r'ship FOUND_IN to/from Strychnos Diplotricha (Plant) Rel Props:Reference:
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