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COCONUT Compound

6-Hydroxyluteolin 7-glucoside

CNP0247986.1 · C21H20O12 · View on COCONUT ↗

2D Structure

Download 2D SDF Download 3D SDF

Identifiers

Name6-Hydroxyluteolin 7-glucoside
IUPAC Name2-(3,4-dihydroxyphenyl)-5,6-dihydroxy-7-[(2~{S},3~{R},4~{S},5~{S},6~{R})-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chromen-4-one
COCONUT IDCNP0247986.1
CAS54300-65-1
InChIKeyHYPKUHLLPBGDLF-IAAKTDFRSA-N
InChIInChI=1S/C21H20O12/c22-6-14-17(27)19(29)20(30)21(33-14)32-13-5-12-15(18(28)16(13)26)10(25)4-11(31-12)7-1-2-8(23)9(24)3-7/h1-5,14,17,19-24,26-30H,6H2/t14-,17-,19+,20-,21-/m1/s1
SMILESO=C1C=C(C2=CC=C(O)C(O)=C2)OC2=CC(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)=C(O)C(O)=C12

Properties

Molecular FormulaC21H20O12
Molecular Weight464.38
Exact Mass464.09548
Log P (ALogP)-0.54
TPSA210.51
H-Bond Donors / Acceptors8 / 12
Rotatable Bonds4
Lipinski's Rule of 5 Violations2
QED Drug-likeness0.23
NP-likeness2.09

Classification

NP PathwayShikimates and Phenylpropanoids
NP SuperclassFlavonoids
NP ClassFlavones
Chemical SuperclassPhenylpropanoids and polyketides
Chemical ClassFlavonoids
Chemical SubclassFlavonoid glycosides

Reported in GR-MAPs Plants

Rosmarinus officinalis as “Rosmarinus officinalis” in COCONUT
Salvia officinalis as “Salvia officinalis” in COCONUT

References (12)

  1. 10.1016/0305-1978(81)90011-9
  2. 10.1016/J.PHYTOCHEM.2008.07.007
  3. 10.1016/S0031-9422(01)00415-0
  4. 10.1016/S0031-9422(02)00504-6
  5. 10.1016/S0305-1978(00)00013-2
  6. 10.1021/NP0501233
  7. 10.1021/NP0501233.S001
  8. 10.1021/NP50051A037
  9. 10.1021/np0501233
  10. 10.1021/np50051a037
  11. 10.1177/1934578x1501000307
  12. 10.3390/IJMS151120585

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.