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COCONUT Compound

Licoricidin

CNP0246526.1 · C26H32O5 · View on COCONUT ↗

2D Structure

Download 2D SDF Download 3D SDF

Identifiers

NameLicoricidin
IUPAC Name4-[(3~{R})-7-hydroxy-5-methoxy-6-(3-methylbut-2-enyl)chroman-3-yl]-2-(3-methylbut-2-enyl)benzene-1,3-diol
COCONUT IDCNP0246526.1
CAS30508-27-1
InChIKeyGBRZTUJCDFSIHM-KRWDZBQOSA-N
InChIInChI=1S/C26H32O5/c1-15(2)6-8-19-22(27)11-10-18(25(19)29)17-12-21-24(31-14-17)13-23(28)20(26(21)30-5)9-7-16(3)4/h6-7,10-11,13,17,27-29H,8-9,12,14H2,1-5H3/t17-/m0/s1
SMILESCOC1=C(CC=C(C)C)C(O)=CC2=C1C[C@H](C1=CC=C(O)C(CC=C(C)C)=C1O)CO2

Properties

Molecular FormulaC26H32O5
Molecular Weight424.54
Exact Mass424.22497
Log P (ALogP)5.55
TPSA79.15
H-Bond Donors / Acceptors3 / 5
Rotatable Bonds6
Lipinski's Rule of 5 Violations1
QED Drug-likeness0.53
NP-likeness1.90

Classification

NP PathwayShikimates and Phenylpropanoids
NP SuperclassIsoflavonoids
NP ClassIsoflavanones
Chemical SuperclassPhenylpropanoids and polyketides
Chemical ClassIsoflavonoids
Chemical SubclassO-methylated isoflavonoids

Reported in GR-MAPs Plants

Glycyrrhiza glabra as “Glycyrrhiza glabra” in COCONUT

References (16)

  1. 10.1016/J.BMC.2008.10.061
  2. 10.1016/S0024-3205(02)01864-7
  3. 10.1016/S0367-326X(03)00164-3
  4. 10.1017/S0007114510002114
  5. 10.1021/NP2004775
  6. 10.1021/acs.jnatprod.5b00877
  7. 10.1021/acs.jnatprod.9b00262
  8. 10.1021/np2004775
  9. 10.1021/np400788r
  10. 10.1248/BPB.22.1144
  11. 10.1248/CPB.48.1286
  12. 10.3987/COM-89-5041
  13. 10.3987/COM-89-5281
  14. 10.3987/COM-91-5951
  15. 10.3987/COM-93-6486
  16. 10.3987/COM-97-7906

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.