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COCONUT Compound

minimiflorin

CNP0234934.1 · C25H26O5 · View on COCONUT ↗

2D Structure

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Identifiers

Nameminimiflorin
IUPAC Name(8~{S})-5-hydroxy-8-(2-hydroxyphenyl)-2,2-dimethyl-10-(3-methylbut-2-enyl)-7,8-dihydropyrano[3,2-g]chromen-6-one
COCONUT IDCNP0234934.1
CAS98621-33-1
InChIKeyIAKVRAMIQPWTDR-FQEVSTJZSA-N
InChIInChI=1S/C25H26O5/c1-14(2)9-10-17-23-16(11-12-25(3,4)30-23)22(28)21-19(27)13-20(29-24(17)21)15-7-5-6-8-18(15)26/h5-9,11-12,20,26,28H,10,13H2,1-4H3/t20-/m0/s1
SMILESCC(C)=CCC1=C2OC(C)(C)C=CC2=C(O)C2=C1O[C@H](C1=CC=CC=C1O)CC2=O

Properties

Molecular FormulaC25H26O5
Molecular Weight406.48
Exact Mass406.17802
Log P (ALogP)5.50
TPSA75.99
H-Bond Donors / Acceptors2 / 5
Rotatable Bonds3
Lipinski's Rule of 5 Violations1
QED Drug-likeness0.66
NP-likeness2.85

Classification

NP PathwayShikimates and Phenylpropanoids
NP SuperclassFlavonoids
NP ClassFlavanones
Chemical SuperclassPhenylpropanoids and polyketides
Chemical ClassFlavonoids
Chemical SubclassPyranoflavonoids

Reported in GR-MAPs Plants

Cymbopogon flexuosus as “Cymbopogon flexuosus” in COCONUT

References (6)

  1. 10.1016/S0031-9422(00)00322-8
  2. 10.1016/S0031-9422(00)82376-6
  3. 10.1021/NP0203483
  4. 10.1021/NP50040A025
  5. 10.1021/np0203483
  6. 10.1078/S0944-7113(04)70070-7

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.