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COCONUT Compound

Kanzonol X

CNP0310990.2 · C25H30O4 · View on COCONUT ↗

2D Structure

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Identifiers

NameKanzonol X
IUPAC Name4-[(3~{R})-7-hydroxy-8-(3-methylbut-2-enyl)chroman-3-yl]-2-(3-methylbut-2-enyl)benzene-1,3-diol
COCONUT IDCNP0310990.2
CAS182745-37-5
InChIKeyKZTSESJJLOEXBX-SFHVURJKSA-N
InChIInChI=1S/C25H30O4/c1-15(2)5-8-20-22(26)12-10-19(24(20)28)18-13-17-7-11-23(27)21(9-6-16(3)4)25(17)29-14-18/h5-7,10-12,18,26-28H,8-9,13-14H2,1-4H3/t18-/m0/s1
SMILESCC(C)=CCC1=C(O)C=CC([C@@H]2COC3=C(C=CC(O)=C3CC=C(C)C)C2)=C1O

Properties

Molecular FormulaC25H30O4
Molecular Weight394.51
Exact Mass394.21441
Log P (ALogP)5.54
TPSA69.92
H-Bond Donors / Acceptors3 / 4
Rotatable Bonds5
Lipinski's Rule of 5 Violations1
QED Drug-likeness0.58
NP-likeness1.80

Classification

NP PathwayShikimates and Phenylpropanoids
NP SuperclassIsoflavonoids
NP ClassPterocarpan
Chemical SuperclassPhenylpropanoids and polyketides
Chemical ClassIsoflavonoids
Chemical SubclassIsoflavans

Reported in GR-MAPs Plants

Glycyrrhiza glabra as “Glycyrrhiza glabra” in COCONUT

References (6)

  1. 10.1016/0031-9422(96)00294-4
  2. 10.1016/J.BMC.2009.11.027
  3. 10.1016/J.CHROMA.2011.09.030
  4. 10.1016/S0031-9422(96)00391-3
  5. 10.1021/ACS.JNATPROD.6B00783
  6. 10.1055/S-2006-957571

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.