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3,4-Dihydroxycinnamoyl-(Z)-2-(3,4-dihydroxyphenyl)ethenol

PubChem CID: 14353342

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Compound Synonyms 3,4-Dihydroxycinnamoyl-(Z)-2-(3,4-dihydroxyphenyl)ethenol, CHEBI:175014, DTXSID301123701, [(E)-2-(3,4-dihydroxyphenyl)ethenyl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate, 2-Propenoic acid, 3-(3,4-dihydroxyphenyl)-, 2-(3,4-dihydroxyphenyl)ethenyl ester, (E,E)-, 99816-39-4
Topological Polar Surface Area 107.0
Hydrogen Bond Donor Count 4.0
Heavy Atom Count 23.0
Description Isolated from the callus cultures of Lavandula angustifolia (lavender).
Isotope Atom Count 0.0
Molecular Complexity 446.0
Database Name cmaup_ingredients;fooddb_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Iupac Name [(E)-2-(3,4-dihydroxyphenyl)ethenyl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
Prediction Hob 1.0
Xlogp 2.8
Molecular Formula C17H14O6
Prediction Swissadme 0.0
Inchi Key GFZFUVWXGQWUGX-ZICOWINBSA-N
Fcsp3 0.0
Logs -2.648
Rotatable Bond Count 5.0
Logd 2.89
Synonyms 1-O-3,4-Dihydroxy-(E)-cinnamoyl-(E)-2-(3,4-dihydroxyphenyl)ethenol, 1-O-3,4-Dihydroxy-(E)-cinnamoyl-3,4-dihydroxystyryl alcohol, 3,4-Dihydroxycinnamoyl-(E)-2-(3,4-dihydroxyphenyl)ethenol
Compound Name 3,4-Dihydroxycinnamoyl-(Z)-2-(3,4-dihydroxyphenyl)ethenol
Prediction Hob Swissadme 0.0
Exact Mass 314.079
Formal Charge 0.0
Monoisotopic Mass 314.079
Hydrogen Bond Acceptor Count 6.0
Molecular Weight 314.29
Covalent Unit Count 1.0
Total Atom Stereocenter Count 0.0
Total Bond Stereocenter Count 2.0
Esol -3.5835035565217392
Inchi InChI=1S/C17H14O6/c18-13-4-1-11(9-15(13)20)3-6-17(22)23-8-7-12-2-5-14(19)16(21)10-12/h1-10,18-21H/b6-3+,8-7+
Smiles C1=CC(=C(C=C1/C=C/C(=O)O/C=C/C2=CC(=C(C=C2)O)O)O)O
Nring 2.0
Defined Bond Stereocenter Count 2.0

  • 1. Outgoing r'ship FOUND_IN to/from Asplenium Nidus (Plant) Rel Props:Source_db:cmaup_ingredients
  • 2. Outgoing r'ship FOUND_IN to/from Astragalus Inopinatus (Plant) Rel Props:Source_db:cmaup_ingredients
  • 3. Outgoing r'ship FOUND_IN to/from Celmisia Petriei (Plant) Rel Props:Source_db:cmaup_ingredients
  • 4. Outgoing r'ship FOUND_IN to/from Cirsium Helenioides (Plant) Rel Props:Source_db:cmaup_ingredients
  • 5. Outgoing r'ship FOUND_IN to/from Clusia Torresii (Plant) Rel Props:Source_db:cmaup_ingredients
  • 6. Outgoing r'ship FOUND_IN to/from Ferula Assa-Foetida (Plant) Rel Props:Source_db:cmaup_ingredients
  • 7. Outgoing r'ship FOUND_IN to/from Handroanthus Guayacan (Plant) Rel Props:Source_db:cmaup_ingredients
  • 8. Outgoing r'ship FOUND_IN to/from Orthosiphon Aristatus (Plant) Rel Props:Source_db:cmaup_ingredients
  • 9. Outgoing r'ship FOUND_IN to/from Oryza Sativa (Plant) Rel Props:Source_db:cmaup_ingredients
  • 10. Outgoing r'ship FOUND_IN to/from Populus Tremula (Plant) Rel Props:Source_db:cmaup_ingredients
  • 11. Outgoing r'ship FOUND_IN to/from Primula Veris (Plant) Rel Props:Source_db:cmaup_ingredients
  • 12. Outgoing r'ship FOUND_IN to/from Senecio Integerrimus (Plant) Rel Props:Source_db:cmaup_ingredients
  • 13. Outgoing r'ship FOUND_IN to/from Ulmus Laciniata (Plant) Rel Props:Source_db:cmaup_ingredients
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