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COCONUT Compound

Diosmetin

CNP0246782.0 · C16H12O6 · View on COCONUT ↗

2D Structure

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Identifiers

NameDiosmetin
IUPAC Name5,7-dihydroxy-2-(3-hydroxy-4-methoxy-phenyl)chromen-4-one
COCONUT IDCNP0246782.0
CAS520-34-3
InChIKeyMBNGWHIJMBWFHU-UHFFFAOYSA-N
InChIInChI=1S/C16H12O6/c1-21-13-3-2-8(4-10(13)18)14-7-12(20)16-11(19)5-9(17)6-15(16)22-14/h2-7,17-19H,1H3
SMILESCOC1=CC=C(C2=CC(=O)C3=C(O)C=C(O)C=C3O2)C=C1O

Properties

Molecular FormulaC16H12O6
Molecular Weight300.27
Exact Mass300.06339
Log P (ALogP)2.59
TPSA100.13
H-Bond Donors / Acceptors3 / 6
Rotatable Bonds2
Lipinski's Rule of 5 Violations0
QED Drug-likeness0.67
NP-likeness1.34

Classification

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

Reported in GR-MAPs Plants

Arabidopsis thaliana as “Arabidopsis thaliana” in COCONUT
Mentha Arvensis as “Mentha arvensis” in COCONUT
Salvia officinalis as “Salvia officinalis” in COCONUT
Origanum vulgare as “Origanum vulgare” in COCONUT

References (84)

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  10. 10.1007/BF00598367
  11. 10.1007/BF00598598
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  13. 10.1007/BF02857780
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  18. 10.1016/0031-9422(91)83644-Z
  19. 10.1016/0031-9422(93)00074-P
  20. 10.1016/0031-9422(94)00578-H
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  23. 10.1016/0305-1978(83)90056-X
  24. 10.1016/0305-1978(84)90032-2
  25. 10.1016/0305-1978(91)90088-H
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  28. 10.1016/J.FITOTE.2006.06.012
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  30. 10.1016/J.JHAZMAT.2018.11.065
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  35. 10.1016/J.TET.2012.01.061
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  39. 10.1016/S0031-9422(00)89581-3
  40. 10.1016/S0031-9422(00)90052-9

Showing 40 of 84. See all references on COCONUT.

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.