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Vitexdoin B

PubChem CID: 44478948

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Compound Synonyms VITEXDOIN B, CHEMBL1079037, 6-hydroxy-4-(4-hydroxy-3-methoxyphenyl)-5-methoxynaphthalene-2-carbaldehyde, 1186021-79-3
Topological Polar Surface Area 76.0
Hydrogen Bond Donor Count 2.0
Heavy Atom Count 24.0
Isotope Atom Count 0.0
Molecular Complexity 428.0
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Iupac Name 6-hydroxy-4-(4-hydroxy-3-methoxyphenyl)-5-methoxynaphthalene-2-carbaldehyde
Prediction Hob 1.0
Xlogp 3.5
Molecular Formula C19H16O5
Prediction Swissadme 0.0
Inchi Key HWWOGKWMIOQRRX-UHFFFAOYSA-N
Fcsp3 0.1052631578947368
Logs -4.267
Rotatable Bond Count 4.0
Logd 2.995
Compound Name Vitexdoin B
Prediction Hob Swissadme 0.0
Exact Mass 324.1
Formal Charge 0.0
Monoisotopic Mass 324.1
Hydrogen Bond Acceptor Count 5.0
Molecular Weight 324.3
Covalent Unit Count 1.0
Total Atom Stereocenter Count 0.0
Total Bond Stereocenter Count 0.0
Esol -4.278891733333333
Inchi InChI=1S/C19H16O5/c1-23-17-9-12(3-5-15(17)21)14-8-11(10-20)7-13-4-6-16(22)19(24-2)18(13)14/h3-10,21-22H,1-2H3
Smiles COC1=C(C=CC(=C1)C2=C3C(=CC(=C2)C=O)C=CC(=C3OC)O)O
Nring 3.0
Defined Bond Stereocenter Count 0.0

  • 1. Outgoing r'ship FOUND_IN to/from Acer Negundo (Plant) Rel Props:Reference:
  • 2. Outgoing r'ship FOUND_IN to/from Vitex Altissima (Plant) Rel Props:Reference:
  • 3. Outgoing r'ship FOUND_IN to/from Vitex Glabrata (Plant) Rel Props:Reference:
  • 4. Outgoing r'ship FOUND_IN to/from Vitex Leucoxylon (Plant) Rel Props:Reference:
  • 5. Outgoing r'ship FOUND_IN to/from Vitex Limonifolia (Plant) Rel Props:Reference:
  • 6. Outgoing r'ship FOUND_IN to/from Vitex Lucens (Plant) Rel Props:Reference:
  • 7. Outgoing r'ship FOUND_IN to/from Vitex Madiensis (Plant) Rel Props:Reference:
  • 8. Outgoing r'ship FOUND_IN to/from Vitex Megapotamica (Plant) Rel Props:Reference:
  • 9. Outgoing r'ship FOUND_IN to/from Vitex Negundo (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 10. Outgoing r'ship FOUND_IN to/from Vitex Paniculata (Plant) Rel Props:Reference:
  • 11. Outgoing r'ship FOUND_IN to/from Vitex Peduncularis (Plant) Rel Props:Reference:
  • 12. Outgoing r'ship FOUND_IN to/from Vitex Pinnata (Plant) Rel Props:Reference:
  • 13. Outgoing r'ship FOUND_IN to/from Vitex Quinata (Plant) Rel Props:Reference:
  • 14. Outgoing r'ship FOUND_IN to/from Vitex Rotundifolia (Plant) Rel Props:Reference:
  • 15. Outgoing r'ship FOUND_IN to/from Vitex Trifolia (Plant) Rel Props:Reference:
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