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COCONUT Compound

Ermanin

CNP0253205.0 · C17H14O6 · View on COCONUT ↗

2D Structure

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Identifiers

NameErmanin
IUPAC Name5,7-dihydroxy-3-methoxy-2-(4-methoxyphenyl)chromen-4-one
COCONUT IDCNP0253205.0
CAS20869-95-8
InChIKeyRJCJVIFSIXKSAH-UHFFFAOYSA-N
InChIInChI=1S/C17H14O6/c1-21-11-5-3-9(4-6-11)16-17(22-2)15(20)14-12(19)7-10(18)8-13(14)23-16/h3-8,18-19H,1-2H3
SMILESCOC1=CC=C(C2=C(OC)C(=O)C3=C(O)C=C(O)C=C3O2)C=C1

Properties

Molecular FormulaC17H14O6
Molecular Weight314.29
Exact Mass314.07904
Log P (ALogP)2.89
TPSA89.13
H-Bond Donors / Acceptors2 / 6
Rotatable Bonds3
Lipinski's Rule of 5 Violations0
QED Drug-likeness0.77
NP-likeness1.22

Classification

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

Reported in GR-MAPs Plants

Zingiber zerumbet as “Zingiber zerumbet” in COCONUT

References (48)

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  2. 10.1007/BF00599014
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  4. 10.1016/0031-9422(92)83132-I
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  19. 10.1016/S0031-9422(00)90665-4
  20. 10.1016/S0031-9422(02)00666-0
  21. 10.1016/S0031-9422(03)00112-2
  22. 10.1016/S0031-9422(03)00217-6
  23. 10.1016/S0031-9422(97)01003-0
  24. 10.1016/S0031-9422(98)00524-X
  25. 10.1016/S0031-9422(99)00110-7
  26. 10.1016/S0305-1978(01)00040-0
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  28. 10.1016/S0305-1978(98)00112-4
  29. 10.1016/S0305-1978(99)00045-9
  30. 10.1016/S0367-326X(03)00033-9
  31. 10.1016/j.bse.2006.07.002
  32. 10.1016/j.indcrop.2015.10.011
  33. 10.1016/s0031-9422(00)83141-6
  34. 10.1016/s0305-1978(99)00045-9
  35. 10.1021/NP010128+
  36. 10.1021/NP030556A
  37. 10.1021/NP0603119
  38. 10.1021/NP50067A028
  39. 10.1021/NP960163U
  40. 10.1021/np030556a

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.