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COCONUT Compound

Gardenin D

CNP0207024.0 · C19H18O8 · View on COCONUT ↗

2D Structure

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Identifiers

NameGardenin D
IUPAC Name5-hydroxy-2-(3-hydroxy-4-methoxy-phenyl)-6,7,8-trimethoxy-chromen-4-one
COCONUT IDCNP0207024.0
CAS29202-00-4
InChIKeyDQMSOZCDDAULPH-UHFFFAOYSA-N
InChIInChI=1S/C19H18O8/c1-23-12-6-5-9(7-10(12)20)13-8-11(21)14-15(22)17(24-2)19(26-4)18(25-3)16(14)27-13/h5-8,20,22H,1-4H3
SMILESCOC1=CC=C(C2=CC(=O)C3=C(O)C(OC)=C(OC)C(OC)=C3O2)C=C1O

Properties

Molecular FormulaC19H18O8
Molecular Weight374.35
Exact Mass374.10017
Log P (ALogP)2.91
TPSA107.59
H-Bond Donors / Acceptors2 / 8
Rotatable Bonds5
Lipinski's Rule of 5 Violations0
QED Drug-likeness0.70
NP-likeness1.32

Classification

NP PathwayShikimates and Phenylpropanoids
NP SuperclassFlavonoids
NP ClassFlavones
Chemical SuperclassPhenylpropanoids and polyketides
Chemical ClassFlavonoids
Chemical SubclassO-methylated flavonoids

Reported in GR-MAPs Plants

Mentha piperita as “Mentha Piperita; Mentha x piperita” in COCONUT
Mentha Arvensis as “Mentha arvensis” in COCONUT
Salvia officinalis as “Salvia officinalis” in COCONUT

References (13)

  1. 10.1016/0031-9422(82)85261-8
  2. 10.1016/0031-9422(84)83060-5
  3. 10.1016/0031-9422(88)80607-1
  4. 10.1016/0031-9422(92)80273-H
  5. 10.1016/0031-9422(92)83268-4
  6. 10.1016/0305-1978(94)90119-8
  7. 10.1016/S0031-9422(97)01042-X
  8. 10.1021/NP030165W
  9. 10.1021/NP50041A041
  10. 10.1055/S-2007-969399
  11. 10.1177/1934578x0700201006
  12. 10.1248/CPB.41.714
  13. 10.1515/ZNC-1986-1-214

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.