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COCONUT Compound

Tricin

CNP0147465.0 · C17H14O7 · View on COCONUT ↗

2D Structure

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Identifiers

NameTricin
IUPAC Name5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxy-phenyl)chromen-4-one
COCONUT IDCNP0147465.0
CAS520-32-1
InChIKeyHRGUSFBJBOKSML-UHFFFAOYSA-N
InChIInChI=1S/C17H14O7/c1-22-14-3-8(4-15(23-2)17(14)21)12-7-11(20)16-10(19)5-9(18)6-13(16)24-12/h3-7,18-19,21H,1-2H3
SMILESCOC1=CC(C2=CC(=O)C3=C(O)C=C(O)C=C3O2)=CC(OC)=C1O

Properties

Molecular FormulaC17H14O7
Molecular Weight330.29
Exact Mass330.07395
Log P (ALogP)2.59
TPSA109.36
H-Bond Donors / Acceptors3 / 7
Rotatable Bonds3
Lipinski's Rule of 5 Violations0
QED Drug-likeness0.68
NP-likeness1.33

Classification

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

Reported in GR-MAPs Plants

Oryza sativa as “Oryza sativa” in COCONUT

References (97)

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  2. 10.1002/JCCS.200400094
  3. 10.1007/BF00575035
  4. 10.1007/BF00579497
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  12. 10.1007/S10600-006-0265-5
  13. 10.1007/S10600-011-9795-6
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  32. 10.1016/J.PHYTOCHEM.2007.03.007
  33. 10.1016/J.PHYTOCHEM.2007.05.016
  34. 10.1016/J.PHYTOCHEM.2007.05.035
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  40. 10.1016/S0031-9422(00)82535-2

Showing 40 of 97. 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.