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Mulberrofuran L

PubChem CID: 44559982

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Compound Synonyms mulberrofuran L, 5-(7-((2E)-3,7-dimethylocta-2,6-dienyl)-6-hydroxy-1-benzofuran-2-yl)benzene-1,3-diol, 5-[7-[(2E)-3,7-dimethylocta-2,6-dienyl]-6-hydroxy-1-benzofuran-2-yl]benzene-1,3-diol, 95378-08-8, CHEMBL459407
Topological Polar Surface Area 73.8
Hydrogen Bond Donor Count 3.0
Heavy Atom Count 28.0
Isotope Atom Count 0.0
Molecular Complexity 555.0
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Uniprot Id n.a.
Iupac Name 5-[7-[(2E)-3,7-dimethylocta-2,6-dienyl]-6-hydroxy-1-benzofuran-2-yl]benzene-1,3-diol
Prediction Hob 1.0
Xlogp 6.7
Molecular Formula C24H26O4
Prediction Swissadme 0.0
Inchi Key CPDKCYSXZONWHC-FRKPEAEDSA-N
Fcsp3 0.25
Logs -2.959
Rotatable Bond Count 6.0
Logd 4.526
Compound Name Mulberrofuran L
Prediction Hob Swissadme 0.0
Exact Mass 378.183
Formal Charge 0.0
Monoisotopic Mass 378.183
Hydrogen Bond Acceptor Count 4.0
Molecular Weight 378.5
Covalent Unit Count 1.0
Total Atom Stereocenter Count 0.0
Total Bond Stereocenter Count 1.0
Esol -6.407930171428572
Inchi InChI=1S/C24H26O4/c1-15(2)5-4-6-16(3)7-9-21-22(27)10-8-17-13-23(28-24(17)21)18-11-19(25)14-20(26)12-18/h5,7-8,10-14,25-27H,4,6,9H2,1-3H3/b16-7+
Smiles CC(=CCC/C(=C/CC1=C(C=CC2=C1OC(=C2)C3=CC(=CC(=C3)O)O)O)/C)C
Nring 3.0
Defined Bond Stereocenter Count 1.0

  • 1. Outgoing r'ship FOUND_IN to/from Adonis Mongolica (Plant) Rel Props:Reference:
  • 2. Outgoing r'ship FOUND_IN to/from Artemisia Mongolica (Plant) Rel Props:Reference:
  • 3. Outgoing r'ship FOUND_IN to/from Cistanche Mongolica (Plant) Rel Props:Reference:
  • 4. Outgoing r'ship FOUND_IN to/from Morus Alba (Plant) Rel Props:Reference:
  • 5. Outgoing r'ship FOUND_IN to/from Morus Australis (Plant) Rel Props:Reference:
  • 6. Outgoing r'ship FOUND_IN to/from Morus Bombycis (Plant) Rel Props:Reference:
  • 7. Outgoing r'ship FOUND_IN to/from Morus Cathayana (Plant) Rel Props:Reference:
  • 8. Outgoing r'ship FOUND_IN to/from Morus Indica (Plant) Rel Props:Reference:
  • 9. Outgoing r'ship FOUND_IN to/from Morus Macroma (Plant) Rel Props:Reference:
  • 10. Outgoing r'ship FOUND_IN to/from Morus Macroura (Plant) Rel Props:Reference:
  • 11. Outgoing r'ship FOUND_IN to/from Morus Mongolica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 12. Outgoing r'ship FOUND_IN to/from Morus Nigra (Plant) Rel Props:Reference:
  • 13. Outgoing r'ship FOUND_IN to/from Morus Rubra (Plant) Rel Props:Reference:
  • 14. Outgoing r'ship FOUND_IN to/from Morus Serrata (Plant) Rel Props:Reference:
  • 15. Outgoing r'ship FOUND_IN to/from Morus Yunnanensis (Plant) Rel Props:Reference:
  • 16. Outgoing r'ship FOUND_IN to/from Phlomis Mongolica (Plant) Rel Props:Reference:
  • 17. Outgoing r'ship FOUND_IN to/from Quercus Mongolica (Plant) Rel Props:Reference:
  • 18. Outgoing r'ship FOUND_IN to/from Spiraea Mongolica (Plant) Rel Props:Reference:
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