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COCONUT Compound

Cyanidin

CNP0492502.0 · [C15H11O6]+ · View on COCONUT ↗

2D Structure

Download 2D SDF Download 3D SDF

Identifiers

NameCyanidin
IUPAC Name2-(3,4-dihydroxyphenyl)chromenylium-3,5,7-triol
COCONUT IDCNP0492502.0
CAS13306-05-3
InChIKeyVEVZSMAEJFVWIL-UHFFFAOYSA-O
InChIInChI=1S/C15H10O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-6H,(H4-,16,17,18,19,20)/p+1
SMILESOC1=CC(O)=C2C=C(O)C(C3=CC=C(O)C(O)=C3)=[O+]C2=C1

Properties

Molecular Formula[C15H11O6]+
Molecular Weight287.25
Exact Mass287.05501
Log P (ALogP)2.91
TPSA112.45
H-Bond Donors / Acceptors5 / 5
Rotatable Bonds1
Lipinski's Rule of 5 Violations0
QED Drug-likeness0.35
NP-likeness1.75

Classification

NP PathwayShikimates and Phenylpropanoids
NP SuperclassFlavonoids
NP ClassAnthocyanidins
Chemical SuperclassPhenylpropanoids and polyketides
Chemical ClassFlavonoids
Chemical SubclassHydroxyflavonoids

Reported in GR-MAPs Plants

Arabidopsis thaliana as “Arabidopsis thaliana” in COCONUT
Chlorophytum brovillianum as “Chlorophytum borivilianum” in COCONUT

References (48)

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  31. 10.1021/jf061478a
  32. 10.1046/J.1365-313X.2003.01834.X
  33. 10.1055/S-0031-1299862
  34. 10.1076/PHBI.37.2.109.6091
  35. 10.1081/JLC-120027089
  36. 10.1093/pcp/pcn183
  37. 10.1111/J.1365-2621.1983.TB09238.X
  38. 10.1111/J.1365-2621.1993.TB06132.X
  39. 10.1139/B89-200
  40. 10.1186/S12864-015-1547-8

Showing 40 of 48. 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.