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COCONUT Compound

Tricin 5-glucoside

CNP0225376.1 · C23H24O12 · View on COCONUT ↗

2D Structure

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Identifiers

NameTricin 5-glucoside
IUPAC Name7-hydroxy-2-(4-hydroxy-3,5-dimethoxy-phenyl)-5-[(2~{S},3~{R},4~{S},5~{S},6~{R})-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chromen-4-one
COCONUT IDCNP0225376.1
CAS32769-00-9
InChIKeyFLSOTPIEFVBPBU-LDBVRRDLSA-N
InChIInChI=1S/C23H24O12/c1-31-15-3-9(4-16(32-2)19(15)27)12-7-11(26)18-13(33-12)5-10(25)6-14(18)34-23-22(30)21(29)20(28)17(8-24)35-23/h3-7,17,20-25,27-30H,8H2,1-2H3/t17-,20-,21+,22-,23-/m1/s1
SMILESCOC1=CC(C2=CC(=O)C3=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C=C(O)C=C3O2)=CC(OC)=C1O

Properties

Molecular FormulaC23H24O12
Molecular Weight492.43
Exact Mass492.12678
Log P (ALogP)0.07
TPSA188.51
H-Bond Donors / Acceptors6 / 12
Rotatable Bonds6
Lipinski's Rule of 5 Violations2
QED Drug-likeness0.27
NP-likeness1.91

Classification

NP PathwayShikimates and Phenylpropanoids
NP SuperclassFlavonoids
NP ClassFlavones
Chemical SuperclassPhenylpropanoids and polyketides
Chemical ClassFlavonoids
Chemical SubclassFlavonoid glycosides

Reported in GR-MAPs Plants

Oryza sativa as “Oryza sativa” in COCONUT

References (18)

  1. 10.1007/BF00575035
  2. 10.1016/0031-9422(74)85051-X
  3. 10.1016/0031-9422(74)85051-x
  4. 10.1016/0031-9422(89)80274-2
  5. 10.1016/0031-9422(92)90037-Q
  6. 10.1016/0305-1978(92)90038-F
  7. 10.1016/0305-1978(92)90038-f
  8. 10.1016/J.PHYTOCHEM.2007.03.007
  9. 10.1016/J.PHYTOCHEM.2007.12.003
  10. 10.1016/S0031-9422(00)84335-6
  11. 10.1016/S0031-9422(00)90808-2
  12. 10.1016/S0305-1978(01)00028-X
  13. 10.1016/j.phytochem.2007.12.003
  14. 10.1021/NP100220G
  15. 10.1021/np100220g
  16. 10.1038/srep20942
  17. 10.1248/YAKUSHI1947.118.8_332
  18. 10.1271/BBB.64.443

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.