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COCONUT Compound

Bonanzin

CNP0190429.0 · C19H18O8 · View on COCONUT ↗

2D Structure

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Identifiers

NameBonanzin
IUPAC Name2-(3,4-dimethoxyphenyl)-5,7-dihydroxy-3,6-dimethoxy-chromen-4-one
COCONUT IDCNP0190429.0
InChIKeySDTFURCSGWUESP-UHFFFAOYSA-N
InChIInChI=1S/C19H18O8/c1-23-11-6-5-9(7-12(11)24-2)17-19(26-4)16(22)14-13(27-17)8-10(20)18(25-3)15(14)21/h5-8,20-21H,1-4H3
SMILESCOC1=CC=C(C2=C(OC)C(=O)C3=C(O)C(OC)=C(O)C=C3O2)C=C1OC

Properties

Molecular FormulaC19H18O8
Molecular Weight374.35
Exact Mass374.10017
Log P (ALogP)2.91
TPSA107.59
H-Bond Donors / Acceptors2 / 8
Rotatable Bonds5
Lipinski's Rule of 5 Violations0
QED Drug-likeness0.70
NP-likeness1.22

Classification

NP PathwayShikimates and Phenylpropanoids
NP SuperclassFlavonoids
NP ClassFlavonols
Chemical SuperclassPhenylpropanoids and polyketides
Chemical ClassFlavonoids
Chemical SubclassO-methylated flavonoids

Reported in GR-MAPs Plants

Artemisia annua as “Artemisia annua” in COCONUT
Tanacetum cinerariifolium as “Tanacetum cinerariifolium” in COCONUT

References (16)

  1. 10.1007/BF02234914
  2. 10.1016/0031-9422(73)85131-3
  3. 10.1016/0031-9422(81)80046-5
  4. 10.1016/0031-9422(82)80045-9
  5. 10.1016/0031-9422(90)80042-F
  6. 10.1016/J.EJMECH.2015.01.012
  7. 10.1016/S0031-9422(00)84507-0
  8. 10.1016/S0031-9422(00)90016-5
  9. 10.1016/S0031-9422(00)97816-6
  10. 10.1016/S0031-9422(98)00363-X
  11. 10.1016/S0031-9422(99)00021-7
  12. 10.1016/S0031-9422(99)00474-4
  13. 10.1016/j.ejmech.2015.01.012
  14. 10.1016/s0031-9422(99)00474-4
  15. 10.1021/NP50043A027
  16. 10.1055/S-2000-8538

Data from COCONUT (COlleCtion of Open Natural prodUcTs), released under CC0. Chandrasekhar V. et al. COCONUT 2.0: a comprehensive overhaul and curation of the collection of open natural products database. Nucleic Acids Research (2024), doi:10.1093/nar/gkae1063. COCONUT release 2026-10.