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COCONUT Compound

Pinostrobin

CNP0280813.2 · C16H14O4 · View on COCONUT ↗

2D Structure

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Identifiers

NamePinostrobin
IUPAC Name(2~{R})-5-hydroxy-7-methoxy-2-phenyl-chroman-4-one
COCONUT IDCNP0280813.2
InChIKeyORJDDOBAOGKRJV-CQSZACIVSA-N
InChIInChI=1S/C16H14O4/c1-19-11-7-12(17)16-13(18)9-14(20-15(16)8-11)10-5-3-2-4-6-10/h2-8,14,17H,9H2,1H3/t14-/m1/s1
SMILESCOC1=CC(O)=C2C(=O)C[C@H](C3=CC=CC=C3)OC2=C1

Properties

Molecular FormulaC16H14O4
Molecular Weight270.28
Exact Mass270.08921
Log P (ALogP)3.11
TPSA55.76
H-Bond Donors / Acceptors1 / 4
Rotatable Bonds2
Lipinski's Rule of 5 Violations0
QED Drug-likeness0.91
NP-likeness1.33

Classification

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

Reported in GR-MAPs Plants

Salvia officinalis as “Salvia officinalis” in COCONUT

References (47)

  1. 10.1002/CHIN.198844339
  2. 10.1002/PCA.730
  3. 10.1007/BF00599013
  4. 10.1007/BF00607554
  5. 10.1007/BF00630627
  6. 10.1007/BF02236417
  7. 10.1007/S10529-015-1825-1
  8. 10.1016/0031-9422(74)85048-X
  9. 10.1016/0031-9422(88)80201-2
  10. 10.1016/0031-9422(91)80089-J
  11. 10.1016/0031-9422(93)80020-S
  12. 10.1016/0031-9422(96)00084-2
  13. 10.1016/0305-1978(91)90071-7
  14. 10.1016/J.PHYTOCHEM.2006.06.018
  15. 10.1016/S0031-9422(00)00514-8
  16. 10.1016/S0031-9422(00)81303-5
  17. 10.1016/S0031-9422(00)81509-5
  18. 10.1016/S0031-9422(00)83877-7
  19. 10.1016/S0031-9422(00)90467-9
  20. 10.1016/S0031-9422(00)90601-0
  21. 10.1016/S0031-9422(00)98114-7
  22. 10.1016/S0031-9422(01)00451-4
  23. 10.1016/S0031-9422(02)00374-6
  24. 10.1016/S0031-9422(03)00112-2
  25. 10.1016/S0031-9422(96)00527-4
  26. 10.1016/S0305-1978(01)00127-2
  27. 10.1016/S0305-1978(97)00084-7
  28. 10.1021/JF010016O
  29. 10.1021/JF010963X
  30. 10.1021/JF980936F
  31. 10.1021/JO00428A006
  32. 10.1021/NP070286M
  33. 10.1021/NP50043A035
  34. 10.1021/NP50059A016
  35. 10.1021/NP960601X
  36. 10.1055/S-2006-957598
  37. 10.1055/S-2006-958054
  38. 10.1071/CH9840449
  39. 10.1080/13880200500385194
  40. 10.1248/CPB.56.956

Showing 40 of 47. 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.