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Dodoviscin H

PubChem CID: 57408288

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Compound Synonyms dodoviscin H, 1372527-39-3, 5,7-dihydroxy-2-[4-hydroxy-3-(4-hydroxy-3-methylbutyl)-5-(3-methylbut-2-enyl)phenyl]-3-methoxychromen-4-one, 4H-1-Benzopyran-4-one, 5,7-dihydroxy-2-[4-hydroxy-3-(4-hydroxy-3-methylbutyl)-5-(3-methyl-2-buten-1-yl)phenyl]-3-methoxy-, (-)-, 5,7-dihydroxy-2-(4-hydroxy-3-(4-hydroxy-3-methylbutyl)-5-(3-methylbut-2-enyl)phenyl)-3-methoxychromen-4-one, CHEMBL2037153, XEC52739, AKOS032948937, FS-8602, CS-0024194
Topological Polar Surface Area 116.0
Hydrogen Bond Donor Count 4.0
Heavy Atom Count 33.0
Isotope Atom Count 0.0
Molecular Complexity 741.0
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Iupac Name 5,7-dihydroxy-2-[4-hydroxy-3-(4-hydroxy-3-methylbutyl)-5-(3-methylbut-2-enyl)phenyl]-3-methoxychromen-4-one
Prediction Hob 1.0
Xlogp 5.5
Molecular Formula C26H30O7
Prediction Swissadme 1.0
Inchi Key DJUDTARIJQVMAT-UHFFFAOYSA-N
Fcsp3 0.3461538461538461
Logs -3.459
Rotatable Bond Count 8.0
Logd 3.179
Compound Name Dodoviscin H
Prediction Hob Swissadme 1.0
Exact Mass 454.199
Formal Charge 0.0
Monoisotopic Mass 454.199
Hydrogen Bond Acceptor Count 7.0
Molecular Weight 454.5
Covalent Unit Count 1.0
Total Atom Stereocenter Count 1.0
Total Bond Stereocenter Count 0.0
Esol -5.58840567878788
Inchi InChI=1S/C26H30O7/c1-14(2)5-7-16-9-18(10-17(23(16)30)8-6-15(3)13-27)25-26(32-4)24(31)22-20(29)11-19(28)12-21(22)33-25/h5,9-12,15,27-30H,6-8,13H2,1-4H3
Smiles CC(CCC1=C(C(=CC(=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC)CC=C(C)C)O)CO
Nring 3.0
Defined Bond Stereocenter Count 0.0

  • 1. Outgoing r'ship FOUND_IN to/from Arnica Viscosa (Plant) Rel Props:Reference:
  • 2. Outgoing r'ship FOUND_IN to/from Bellardia Viscosa (Plant) Rel Props:Reference:
  • 3. Outgoing r'ship FOUND_IN to/from Blumea Viscosa (Plant) Rel Props:Reference:
  • 4. Outgoing r'ship FOUND_IN to/from Cleome Viscosa (Plant) Rel Props:Reference:
  • 5. Outgoing r'ship FOUND_IN to/from Corynandra Viscosa (Plant) Rel Props:Reference:
  • 6. Outgoing r'ship FOUND_IN to/from Dodonaea Angustifolia (Plant) Rel Props:Reference:
  • 7. Outgoing r'ship FOUND_IN to/from Dodonaea Polyandra (Plant) Rel Props:Reference:
  • 8. Outgoing r'ship FOUND_IN to/from Dodonaea Viscosa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 9. Outgoing r'ship FOUND_IN to/from Eragrostis Viscosa (Plant) Rel Props:Reference:
  • 10. Outgoing r'ship FOUND_IN to/from Ononis Viscosa (Plant) Rel Props:Reference:
  • 11. Outgoing r'ship FOUND_IN to/from Potentilla Viscosa (Plant) Rel Props:Reference:
  • 12. Outgoing r'ship FOUND_IN to/from Primula Viscosa (Plant) Rel Props:Reference:
  • 13. Outgoing r'ship FOUND_IN to/from Ptelea Viscosa (Plant) Rel Props:Reference:
  • 14. Outgoing r'ship FOUND_IN to/from Saracha Viscosa (Plant) Rel Props:Reference:
  • 15. Outgoing r'ship FOUND_IN to/from Stemodia Viscosa (Plant) Rel Props:Reference:
  • 16. Outgoing r'ship FOUND_IN to/from Viscaria Viscosa (Plant) Rel Props:Reference:
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