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COCONUT Compound

Kanzonol D

CNP0247945.0 · C20H18O4 · View on COCONUT ↗

2D Structure

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Identifiers

NameKanzonol D
IUPAC Name7-hydroxy-2-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]chromen-4-one
COCONUT IDCNP0247945.0
CAS155233-20-8
InChIKeyNRUOYYDQBWDRKE-UHFFFAOYSA-N
InChIInChI=1S/C20H18O4/c1-12(2)3-4-13-9-14(5-8-17(13)22)19-11-18(23)16-7-6-15(21)10-20(16)24-19/h3,5-11,21-22H,4H2,1-2H3
SMILESCC(C)=CCC1=CC(C2=CC(=O)C3=CC=C(O)C=C3O2)=CC=C1O

Properties

Molecular FormulaC20H18O4
Molecular Weight322.36
Exact Mass322.12051
Log P (ALogP)4.38
TPSA70.67
H-Bond Donors / Acceptors2 / 4
Rotatable Bonds3
Lipinski's Rule of 5 Violations0
QED Drug-likeness0.70
NP-likeness1.58

Classification

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

Reported in GR-MAPs Plants

Glycyrrhiza glabra as “Glycyrrhiza glabra” in COCONUT

References (4)

  1. 10.1016/0031-9422(94)00674-I
  2. 10.1016/S0031-9422(00)94793-9
  3. 10.1016/S0031-9422(98)00623-2
  4. 10.1021/NP970488Q

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.