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5'-Prenylaliarin

PubChem CID: 46218174

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Compound Synonyms 5'-Prenylaliarin, 1246926-09-9, 4H-1-Benzopyran-4-one, 5,7-dihydroxy-2-[4-hydroxy-3-(4-hydroxy-3-methylbutyl)-5-(3-methyl-2-buten-1-yl)phenyl]-3,6-dimethoxy-, 5,7-dihydroxy-2-[4-hydroxy-3-(4-hydroxy-3-methylbutyl)-5-(3-methylbut-2-enyl)phenyl]-3,6-dimethoxychromen-4-one, CHEMBL2037157, DTXSID001104172, WZB92609, AKOS032962534, FS-9485, CS-0023130, 5,7,4'-trihydroxy-3'-(4-hydroxy-3-methylbutyl)-5'-(3-methylbut-2-enyl)-3,6-dimethoxyflavone, 5,7-Dihydroxy-2-(4-hydroxy-3-(4-hydroxy-3-methylbutyl)-5-(3-methylbut-2-en-1-yl)phenyl)-3,6-dimethoxy-4H-chromen-4-one, 5,7-Dihydroxy-2-[4-hydroxy-3-(4-hydroxy-3-methylbutyl)-5-(3-methyl-2-buten-1-yl)phenyl]-3,6-dimethoxy-4H-1-benzopyran-4-one
Topological Polar Surface Area 126.0
Hydrogen Bond Donor Count 4.0
Heavy Atom Count 35.0
Isotope Atom Count 0.0
Molecular Complexity 788.0
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]-3,6-dimethoxychromen-4-one
Prediction Hob 0.0
Xlogp 5.5
Molecular Formula C27H32O8
Prediction Swissadme 0.0
Inchi Key HZKQZIBQTUUPIQ-UHFFFAOYSA-N
Fcsp3 0.3703703703703703
Logs -3.941
Rotatable Bond Count 9.0
Logd 2.945
Compound Name 5'-Prenylaliarin
Prediction Hob Swissadme 0.0
Exact Mass 484.21
Formal Charge 0.0
Monoisotopic Mass 484.21
Hydrogen Bond Acceptor Count 8.0
Molecular Weight 484.5
Covalent Unit Count 1.0
Total Atom Stereocenter Count 1.0
Total Bond Stereocenter Count 0.0
Esol -5.669164714285715
Inchi InChI=1S/C27H32O8/c1-14(2)6-8-16-10-18(11-17(22(16)30)9-7-15(3)13-28)25-27(34-5)24(32)21-20(35-25)12-19(29)26(33-4)23(21)31/h6,10-12,15,28-31H,7-9,13H2,1-5H3
Smiles CC(CCC1=C(C(=CC(=C1)C2=C(C(=O)C3=C(O2)C=C(C(=C3O)OC)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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