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Diplotrin C

PubChem CID: 54672085

Connections displayed (default: 10).
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Compound Synonyms Diplotrin C, CHEBI:69449, CHEMBL1910869, DTXSID601168754, 2'-hydroxy-7,4',5'-trimethoxyflavone, Q27137785, 2-(2-hydroxy-4,5-dimethoxyphenyl)-7-methoxy-4H-chromen-4-one, 2-(2-Hydroxy-4,5-dimethoxyphenyl)-7-methoxy-4H-1-benzopyran-4-one, 1332481-40-9
Topological Polar Surface Area 74.2
Hydrogen Bond Donor Count 1.0
Heavy Atom Count 24.0
Isotope Atom Count 0.0
Molecular Complexity 490.0
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Iupac Name 2-(2-hydroxy-4,5-dimethoxyphenyl)-7-methoxychromen-4-one
Prediction Hob 1.0
Xlogp 2.7
Molecular Formula C18H16O6
Prediction Swissadme 0.0
Inchi Key MFUQOJVVEIIGHY-UHFFFAOYSA-N
Fcsp3 0.1666666666666666
Logs -4.109
Rotatable Bond Count 4.0
Logd 2.863
Compound Name Diplotrin C
Prediction Hob Swissadme 0.0
Exact Mass 328.095
Formal Charge 0.0
Monoisotopic Mass 328.095
Hydrogen Bond Acceptor Count 6.0
Molecular Weight 328.3
Covalent Unit Count 1.0
Total Atom Stereocenter Count 0.0
Total Bond Stereocenter Count 0.0
Esol -3.3334173333333332
Inchi InChI=1S/C18H16O6/c1-21-10-4-5-11-13(19)8-16(24-15(11)6-10)12-7-17(22-2)18(23-3)9-14(12)20/h4-9,20H,1-3H3
Smiles COC1=CC2=C(C=C1)C(=O)C=C(O2)C3=CC(=C(C=C3O)OC)OC
Nring 3.0
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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