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COCONUT Compound

Glabrone

CNP0295951.0 · C20H16O5 · View on COCONUT ↗

2D Structure

Download 2D SDF Download 3D SDF

Identifiers

NameGlabrone
IUPAC Name7-hydroxy-3-(5-hydroxy-2,2-dimethyl-chromen-6-yl)chromen-4-one
COCONUT IDCNP0295951.0
CAS60008-02-8
InChIKeyCOLMVFWKLOZOOP-UHFFFAOYSA-N
InChIInChI=1S/C20H16O5/c1-20(2)8-7-14-16(25-20)6-5-12(18(14)22)15-10-24-17-9-11(21)3-4-13(17)19(15)23/h3-10,21-22H,1-2H3
SMILESCC1(C)C=CC2=C(C=CC(C3=COC4=CC(O)=CC=C4C3=O)=C2O)O1

Properties

Molecular FormulaC20H16O5
Molecular Weight336.34
Exact Mass336.09977
Log P (ALogP)4.06
TPSA79.90
H-Bond Donors / Acceptors2 / 5
Rotatable Bonds1
Lipinski's Rule of 5 Violations0
QED Drug-likeness0.70
NP-likeness2.09

Classification

NP PathwayShikimates and Phenylpropanoids
NP SuperclassIsoflavonoids
NP ClassIsoflavones
Chemical SuperclassPhenylpropanoids and polyketides
Chemical ClassIsoflavonoids
Chemical SubclassPyranoisoflavonoids

Reported in GR-MAPs Plants

Glycyrrhiza glabra as “Glycyrrhiza glabra” in COCONUT

References (13)

  1. 10.1002/CHIN.200407267
  2. 10.1016/J.BMC.2009.11.027
  3. 10.1016/J.BMC.2017.05.009
  4. 10.1016/S0021-9673(01)83627-X
  5. 10.1016/j.bmc.2009.11.027
  6. 10.1016/j.bmc.2017.05.009
  7. 10.1021/ACS.JNATPROD.6B00783
  8. 10.1021/acs.jnatprod.6b00783
  9. 10.1080/10575639708043642
  10. 10.1248/CPB.51.1095
  11. 10.1248/CPB.54.1037
  12. 10.1248/cpb.54.1037
  13. 10.3987/COM-91-5891

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.