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4,6-Dimethoxy-2-pentadeca-8,11,14-trienyl-benzene-1,3-diol

PubChem CID: 643766

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Compound Synonyms CHEMBL463022, 4,6-Dimethoxy-2-pentadeca-8,11,14-trienyl-benzene-1,3-diol, 1,3-benzenediol, 4,6-dimethoxy-2-[(8Z,11Z)-8,11,14-pentadecatrienyl]-, 4,6-dimethoxy-2-[(8Z,11Z)-pentadeca-8,11,14-trien-1-yl]benzene-1,3-diol, InChI=1/C23H34O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-22(24)20(26-2)18-21(27-3)23(19)25/h4,6-7,9-10,18,24-25H,1,5,8,11-17H2,2-3H3/b7-6-,10-9
Topological Polar Surface Area 58.9
Hydrogen Bond Donor Count 2.0
Heavy Atom Count 27.0
Isotope Atom Count 0.0
Molecular Complexity 416.0
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Iupac Name 4,6-dimethoxy-2-[(8Z,11Z)-pentadeca-8,11,14-trienyl]benzene-1,3-diol
Prediction Hob 0.0
Xlogp 7.1
Molecular Formula C23H34O4
Prediction Swissadme 0.0
Inchi Key PIAHTJGIQDTXBU-HZJYTTRNSA-N
Fcsp3 0.4782608695652174
Logs -3.919
Rotatable Bond Count 14.0
Logd 3.53
Compound Name 4,6-Dimethoxy-2-pentadeca-8,11,14-trienyl-benzene-1,3-diol
Prediction Hob Swissadme 0.0
Exact Mass 374.246
Formal Charge 0.0
Monoisotopic Mass 374.246
Hydrogen Bond Acceptor Count 4.0
Molecular Weight 374.5
Covalent Unit Count 1.0
Total Atom Stereocenter Count 0.0
Total Bond Stereocenter Count 2.0
Esol -5.875474644444444
Inchi InChI=1S/C23H34O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-22(24)20(26-2)18-21(27-3)23(19)25/h4,6-7,9-10,18,24-25H,1,5,8,11-17H2,2-3H3/b7-6-,10-9-
Smiles COC1=CC(=C(C(=C1O)CCCCCCC/C=C\C/C=C\CC=C)O)OC
Nring 1.0
Defined Bond Stereocenter Count 2.0

  • 1. Outgoing r'ship FOUND_IN to/from Cacalia Bicolor (Plant) Rel Props:Reference:
  • 2. Outgoing r'ship FOUND_IN to/from Caladium Bicolor (Plant) Rel Props:Reference:
  • 3. Outgoing r'ship FOUND_IN to/from Christisonia Bicolor (Plant) Rel Props:Reference:
  • 4. Outgoing r'ship FOUND_IN to/from Dichrocephala Bicolor (Plant) Rel Props:Reference:
  • 5. Outgoing r'ship FOUND_IN to/from Exacum Bicolor (Plant) Rel Props:Reference:
  • 6. Outgoing r'ship FOUND_IN to/from Gynura Bicolor (Plant) Rel Props:Reference:
  • 7. Outgoing r'ship FOUND_IN to/from Impatiens Bicolor (Plant) Rel Props:Reference:
  • 8. Outgoing r'ship FOUND_IN to/from Lespedeza Bicolor (Plant) Rel Props:Reference:
  • 9. Outgoing r'ship FOUND_IN to/from Limonium Bicolor (Plant) Rel Props:Reference:
  • 10. Outgoing r'ship FOUND_IN to/from Macaranga Bicolor (Plant) Rel Props:Reference:
  • 11. Outgoing r'ship FOUND_IN to/from Maharanga Bicolor (Plant) Rel Props:Reference:
  • 12. Outgoing r'ship FOUND_IN to/from Rudbeckia Bicolor (Plant) Rel Props:Reference:
  • 13. Outgoing r'ship FOUND_IN to/from Sorghum Bicolor (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 14. Outgoing r'ship FOUND_IN to/from Sorghum Halepense (Plant) Rel Props:Reference:
  • 15. Outgoing r'ship FOUND_IN to/from Sorghum Vulgare (Plant) Rel Props:Reference:
  • 16. Outgoing r'ship FOUND_IN to/from Torenia Bicolor (Plant) Rel Props:Reference:
  • 17. Outgoing r'ship FOUND_IN to/from Tragia Bicolor (Plant) Rel Props:Reference:
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