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COCONUT Compound

Corymbosin

CNP0168713.0 · C19H18O7 · View on COCONUT ↗

2D Structure

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Identifiers

NameCorymbosin
IUPAC Name5-hydroxy-7-methoxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one
COCONUT IDCNP0168713.0
CAS18103-41-8
InChIKeyFLCVGMVLNHYJAW-UHFFFAOYSA-N
InChIInChI=1S/C19H18O7/c1-22-11-7-12(20)18-13(21)9-14(26-15(18)8-11)10-5-16(23-2)19(25-4)17(6-10)24-3/h5-9,20H,1-4H3
SMILESCOC1=CC(O)=C2C(=O)C=C(C3=CC(OC)=C(OC)C(OC)=C3)OC2=C1

Properties

Molecular FormulaC19H18O7
Molecular Weight358.35
Exact Mass358.10525
Log P (ALogP)3.20
TPSA87.36
H-Bond Donors / Acceptors1 / 7
Rotatable Bonds5
Lipinski's Rule of 5 Violations0
QED Drug-likeness0.75
NP-likeness0.98

Classification

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

Reported in GR-MAPs Plants

Vitex negundo as “Vitex negundo” in COCONUT

References (10)

  1. 10.1016/0031-9422(94)00851-J
  2. 10.1016/0040-4020(67)85119-6
  3. 10.1016/J.JPBA.2011.08.019
  4. 10.1016/S0031-9422(00)83754-1
  5. 10.1016/S0305-1978(97)00007-0
  6. 10.1016/S0891-5849(99)00039-8
  7. 10.1016/j.jpba.2011.08.019
  8. 10.1021/NP960336F
  9. 10.1021/np960336f
  10. 10.1080/13880200308951339

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.