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COCONUT Compound

Pongapin

CNP0214252.0 · C19H12O6 · View on COCONUT ↗

2D Structure

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Identifiers

NamePongapin
IUPAC Name2-(1,3-benzodioxol-5-yl)-3-methoxy-furo[2,3-h]chromen-4-one
COCONUT IDCNP0214252.0
CAS481-99-2
InChIKeyIGFBIJDAWSAJIF-UHFFFAOYSA-N
InChIInChI=1S/C19H12O6/c1-21-19-16(20)12-3-5-13-11(6-7-22-13)18(12)25-17(19)10-2-4-14-15(8-10)24-9-23-14/h2-8H,9H2,1H3
SMILESCOC1=C(C2=CC=C3OCOC3=C2)OC2=C(C=CC3=C2C=CO3)C1=O

Properties

Molecular FormulaC19H12O6
Molecular Weight336.30
Exact Mass336.06339
Log P (ALogP)3.94
TPSA71.04
H-Bond Donors / Acceptors0 / 6
Rotatable Bonds2
Lipinski's Rule of 5 Violations0
QED Drug-likeness0.55
NP-likeness0.90

Classification

NP PathwayShikimates and Phenylpropanoids
NP SuperclassFlavonoids
NP ClassFlavonols
Chemical SuperclassPhenylpropanoids and polyketides
Chemical ClassFlavonoids
Chemical SubclassFlavones

Reported in GR-MAPs Plants

Tephrosia purpurea as “Tephrosia purpurea” in COCONUT

References (21)

  1. 10.1007/978-1-4757-2351-9_13
  2. 10.1016/0031-9422(83)80254-4
  3. 10.1016/0031-9422(91)80130-S
  4. 10.1016/J.BMC.2009.05.051
  5. 10.1016/J.BMCL.2014.11.015
  6. 10.1016/J.PHYTOCHEM.2003.09.011
  7. 10.1016/J.PHYTOCHEM.2006.05.016
  8. 10.1016/J.PHYTOCHEM.2018.02.005
  9. 10.1016/S0031-9422(00)00300-9
  10. 10.1016/S0031-9422(00)80118-1
  11. 10.1016/j.bmc.2009.05.051
  12. 10.1016/j.bmcl.2014.11.015
  13. 10.1016/j.phytochem.2018.02.005
  14. 10.1021/NP50030A020
  15. 10.1039/JR9630000163
  16. 10.1071/ch9520754
  17. 10.1248/CPB.39.1473
  18. 10.1248/CPB.58.1549
  19. 10.1248/cpb.58.1549
  20. 10.1590/S0103-50532006000700034
  21. 10.3390/11100786

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.