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COCONUT Compound

Glabratephrin

CNP0224353.2 · C24H20O7 · View on COCONUT ↗

2D Structure

Download 2D SDF Download 3D SDF

Identifiers

NameGlabratephrin
IUPAC Name[(3'~{S},9~{R})-2',2'-dimethyl-4,5'-dioxo-2-phenyl-spiro[8~{H}-furo[2,3-h]chromene-9,4'-tetrahydrofuran]-3'-yl] acetate
COCONUT IDCNP0224353.2
InChIKeyQSNBHLXYLHVCLT-QPPBQGQZSA-N
InChIInChI=1S/C24H20O7/c1-13(25)29-21-23(2,3)31-22(27)24(21)12-28-17-10-9-15-16(26)11-18(30-20(15)19(17)24)14-7-5-4-6-8-14/h4-11,21H,12H2,1-3H3/t21-,24+/m1/s1
SMILESCC(=O)O[C@@H]1C(C)(C)OC(=O)[C@]12COC1=CC=C3C(=O)C=C(C4=CC=CC=C4)OC3=C12

Properties

Molecular FormulaC24H20O7
Molecular Weight420.42
Exact Mass420.12090
Log P (ALogP)3.36
TPSA92.04
H-Bond Donors / Acceptors0 / 7
Rotatable Bonds2
Lipinski's Rule of 5 Violations0
QED Drug-likeness0.59
NP-likeness1.23

Classification

NP PathwayShikimates and Phenylpropanoids
NP SuperclassFlavonoids
NP ClassFlavones
Chemical SuperclassPhenylpropanoids and polyketides
Chemical ClassFlavonoids
Chemical SubclassFlavonoids

Reported in GR-MAPs Plants

Tephrosia purpurea as “Tephrosia purpurea” in COCONUT

References (6)

  1. 10.1016/0031-9422(80)85137-5
  2. 10.1016/0040-4020(78)88338-0
  3. 10.1016/0378-8741(86)90156-X
  4. 10.1016/J.PHYTOCHEM.2009.08.001
  5. 10.1016/S0031-9422(02)00078-X
  6. 10.1016/S0040-4020(01)97085-1

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.