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COCONUT Compound

Moslosooflavone

CNP0267409.0 · C17H14O5 · View on COCONUT ↗

2D Structure

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Identifiers

NameMoslosooflavone
IUPAC Name5-hydroxy-7,8-dimethoxy-2-phenyl-chromen-4-one
COCONUT IDCNP0267409.0
CAS3570-62-5
InChIKeyIHLSBQVBFDTNTC-UHFFFAOYSA-N
InChIInChI=1S/C17H14O5/c1-20-14-9-12(19)15-11(18)8-13(10-6-4-3-5-7-10)22-17(15)16(14)21-2/h3-9,19H,1-2H3
SMILESCOC1=CC(O)=C2C(=O)C=C(C3=CC=CC=C3)OC2=C1OC

Properties

Molecular FormulaC17H14O5
Molecular Weight298.29
Exact Mass298.08412
Log P (ALogP)3.18
TPSA68.90
H-Bond Donors / Acceptors1 / 5
Rotatable Bonds3
Lipinski's Rule of 5 Violations0
QED Drug-likeness0.80
NP-likeness1.16

Classification

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

Reported in GR-MAPs Plants

Andrographis paniculata as “Andrographis Paniculata” in COCONUT

References (22)

  1. 10.1002/JCCS.200200069
  2. 10.1007/S10600-011-9970-9
  3. 10.1016/0031-9422(77)84045-4
  4. 10.1016/0031-9422(89)80195-5
  5. 10.1016/J.FITOTE.2009.12.005
  6. 10.1016/J.PHYTOCHEM.2004.05.008
  7. 10.1016/J.PHYTOCHEM.2006.12.018
  8. 10.1016/S0031-9422(00)80122-3
  9. 10.1016/S0031-9422(02)00666-0
  10. 10.1016/S0031-9422(03)00051-7
  11. 10.1021/JF903629J
  12. 10.1021/NP020331K
  13. 10.1021/NP040187Y
  14. 10.1021/NP980421I
  15. 10.1021/acs.jnatprod.0c00756
  16. 10.1055/S-1999-14052
  17. 10.1071/CH9892289
  18. 10.1080/10286020701273627
  19. 10.1177/1934578x1300800412
  20. 10.1248/CPB.35.4429
  21. 10.1248/CPB.49.1555
  22. 10.1248/YAKUSHI1947.103.6_607

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.