|
Menu

COCONUT Compound

Texasin

CNP0301466.0 · C16H12O5 · View on COCONUT ↗

2D Structure

Download 2D SDF Download 3D SDF

Identifiers

NameTexasin
IUPAC Name6,7-dihydroxy-3-(4-methoxyphenyl)chromen-4-one
COCONUT IDCNP0301466.0
CAS897-46-1
InChIKeyGCWOYVFHJDNKIN-UHFFFAOYSA-N
InChIInChI=1S/C16H12O5/c1-20-10-4-2-9(3-5-10)12-8-21-15-7-14(18)13(17)6-11(15)16(12)19/h2-8,17-18H,1H3
SMILESCOC1=CC=C(C2=COC3=CC(O)=C(O)C=C3C2=O)C=C1

Properties

Molecular FormulaC16H12O5
Molecular Weight284.27
Exact Mass284.06847
Log P (ALogP)2.88
TPSA79.90
H-Bond Donors / Acceptors2 / 5
Rotatable Bonds2
Lipinski's Rule of 5 Violations0
QED Drug-likeness0.71
NP-likeness0.71

Classification

NP PathwayShikimates and Phenylpropanoids
NP SuperclassIsoflavonoids
NP ClassIsoflavones
Chemical SuperclassPhenylpropanoids and polyketides
Chemical ClassIsoflavonoids
Chemical SubclassIsoflav-2-enes

Reported in GR-MAPs Plants

Glycyrrhiza glabra as “Glycyrrhiza glabra” in COCONUT

References (3)

  1. 10.1016/S0003-2670(01)01370-8
  2. 10.1016/S0031-9422(00)85740-4
  3. 10.1016/S0031-9422(00)89849-0

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.