|
Menu

COCONUT Compound

Glyinflanin B

CNP0193015.0 · C20H18O5 · View on COCONUT ↗

2D Structure

Download 2D SDF Download 3D SDF

Identifiers

NameGlyinflanin B
IUPAC Name1-(7-hydroxy-2,2-dimethyl-chromen-6-yl)-3-(4-hydroxyphenyl)propane-1,3-dione
COCONUT IDCNP0193015.0
CAS142750-23-0
InChIKeyKXBWVUQZNQMUBZ-UHFFFAOYSA-N
InChIInChI=1S/C20H18O5/c1-20(2)8-7-13-9-15(18(24)11-19(13)25-20)17(23)10-16(22)12-3-5-14(21)6-4-12/h3-9,11,21,24H,10H2,1-2H3
SMILESCC1(C)C=CC2=CC(C(=O)CC(=O)C3=CC=C(O)C=C3)=C(O)C=C2O1

Properties

Molecular FormulaC20H18O5
Molecular Weight338.36
Exact Mass338.11542
Log P (ALogP)3.74
TPSA83.83
H-Bond Donors / Acceptors2 / 5
Rotatable Bonds4
Lipinski's Rule of 5 Violations0
QED Drug-likeness0.66
NP-likeness1.47

Classification

NP PathwayShikimates and Phenylpropanoids
NP SuperclassFlavonoids
NP ClassChalcones
Chemical SuperclassPhenylpropanoids and polyketides
Chemical ClassLinear 1,3-diarylpropanoids
Chemical SubclassChalcones and dihydrochalcones

Reported in GR-MAPs Plants

Glycyrrhiza glabra as “Glycyrrhiza glabra” in COCONUT

References (5)

  1. 10.1016/0031-9422(94)00674-I
  2. 10.1016/S0031-9422(00)00337-X
  3. 10.1016/S0031-9422(00)94793-9
  4. 10.3987/COM-91-5891
  5. 10.3987/COM-91-5951

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.