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dimethyl (2E,3E)-2-[(3,4-dimethoxyphenyl)methylidene]-3-[(4-methoxyphenyl)methylidene]butanedioate

PubChem CID: 90676289

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Compound Synonyms CHEMBL3262206
Topological Polar Surface Area 80.3
Hydrogen Bond Donor Count 0.0
Heavy Atom Count 30.0
Isotope Atom Count 0.0
Molecular Complexity 631.0
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Iupac Name dimethyl (2E,3E)-2-[(3,4-dimethoxyphenyl)methylidene]-3-[(4-methoxyphenyl)methylidene]butanedioate
Prediction Hob 1.0
Xlogp 4.0
Molecular Formula C23H24O7
Prediction Swissadme 0.0
Inchi Key DZSKDBWTXGMINH-KLCVKJMQSA-N
Fcsp3 0.217391304347826
Logs -5.426
Rotatable Bond Count 10.0
Logd 3.657
Compound Name dimethyl (2E,3E)-2-[(3,4-dimethoxyphenyl)methylidene]-3-[(4-methoxyphenyl)methylidene]butanedioate
Prediction Hob Swissadme 0.0
Exact Mass 412.152
Formal Charge 0.0
Monoisotopic Mass 412.152
Hydrogen Bond Acceptor Count 7.0
Molecular Weight 412.4
Covalent Unit Count 1.0
Total Atom Stereocenter Count 0.0
Total Bond Stereocenter Count 2.0
Esol -4.578315600000001
Inchi InChI=1S/C23H24O7/c1-26-17-9-6-15(7-10-17)12-18(22(24)29-4)19(23(25)30-5)13-16-8-11-20(27-2)21(14-16)28-3/h6-14H,1-5H3/b18-12+,19-13+
Smiles COC1=CC=C(C=C1)/C=C(\C(=C/C2=CC(=C(C=C2)OC)OC)\C(=O)OC)/C(=O)OC
Nring 2.0
Defined Bond Stereocenter Count 2.0

  • 1. Outgoing r'ship FOUND_IN to/from Aerides Odorata (Plant) Rel Props:Reference:
  • 2. Outgoing r'ship FOUND_IN to/from Aglaia Odorata (Plant) Rel Props:Reference:
  • 3. Outgoing r'ship FOUND_IN to/from Asperula Odorata (Plant) Rel Props:Reference:
  • 4. Outgoing r'ship FOUND_IN to/from Bergia Odorata (Plant) Rel Props:Reference:
  • 5. Outgoing r'ship FOUND_IN to/from Blumea Odorata (Plant) Rel Props:Reference:
  • 6. Outgoing r'ship FOUND_IN to/from Cananga Odorata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 7. Outgoing r'ship FOUND_IN to/from Caryopteris Odorata (Plant) Rel Props:Reference:
  • 8. Outgoing r'ship FOUND_IN to/from Cedrela Odorata (Plant) Rel Props:Reference:
  • 9. Outgoing r'ship FOUND_IN to/from Chromolaena Odorata (Plant) Rel Props:Reference:
  • 10. Outgoing r'ship FOUND_IN to/from Dipteryx Odorata (Plant) Rel Props:Reference:
  • 11. Outgoing r'ship FOUND_IN to/from Gynocardia Odorata (Plant) Rel Props:Reference:
  • 12. Outgoing r'ship FOUND_IN to/from Hierochloe Odorata (Plant) Rel Props:Reference:
  • 13. Outgoing r'ship FOUND_IN to/from Hopea Odorata (Plant) Rel Props:Reference:
  • 14. Outgoing r'ship FOUND_IN to/from Hymenoxys Odorata (Plant) Rel Props:Reference:
  • 15. Outgoing r'ship FOUND_IN to/from Kyllinga Odorata (Plant) Rel Props:Reference:
  • 16. Outgoing r'ship FOUND_IN to/from Myrrhis Odorata (Plant) Rel Props:Reference:
  • 17. Outgoing r'ship FOUND_IN to/from Nymphaea Odorata (Plant) Rel Props:Reference:
  • 18. Outgoing r'ship FOUND_IN to/from Oenothera Odorata (Plant) Rel Props:Reference:
  • 19. Outgoing r'ship FOUND_IN to/from Pavonia Odorata (Plant) Rel Props:Reference:
  • 20. Outgoing r'ship FOUND_IN to/from Persicaria Odorata (Plant) Rel Props:Reference:
  • 21. Outgoing r'ship FOUND_IN to/from Pluchea Odorata (Plant) Rel Props:Reference:
  • 22. Outgoing r'ship FOUND_IN to/from Premna Odorata (Plant) Rel Props:Reference:
  • 23. Outgoing r'ship FOUND_IN to/from Reseda Odorata (Plant) Rel Props:Reference:
  • 24. Outgoing r'ship FOUND_IN to/from Tarenna Odorata (Plant) Rel Props:Reference:
  • 25. Outgoing r'ship FOUND_IN to/from Viola Odorata (Plant) Rel Props:Reference:
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