|
Menu

COCONUT Compound

baicalein

CNP0329318.0 · C15H10O5 · View on COCONUT ↗

2D Structure

Download 2D SDF Download 3D SDF

Identifiers

Namebaicalein
IUPAC Name5,6,7-trihydroxy-2-phenyl-chromen-4-one
COCONUT IDCNP0329318.0
CAS491-67-8
InChIKeyFXNFHKRTJBSTCS-UHFFFAOYSA-N
InChIInChI=1S/C15H10O5/c16-9-6-11(8-4-2-1-3-5-8)20-12-7-10(17)14(18)15(19)13(9)12/h1-7,17-19H
SMILESO=C1C=C(C2=CC=CC=C2)OC2=CC(O)=C(O)C(O)=C12

Properties

Molecular FormulaC15H10O5
Molecular Weight270.24
Exact Mass270.05282
Log P (ALogP)2.58
TPSA90.90
H-Bond Donors / Acceptors3 / 5
Rotatable Bonds1
Lipinski's Rule of 5 Violations0
QED Drug-likeness0.59
NP-likeness1.27

Classification

NP PathwayShikimates and Phenylpropanoids
NP SuperclassFlavonoids
NP ClassFlavones
Chemical SuperclassPhenylpropanoids and polyketides
Chemical ClassFlavonoids
Chemical SubclassHydroxyflavonoids

Reported in GR-MAPs Plants

Arabidopsis thaliana as “Arabidopsis thaliana” in COCONUT

References (93)

  1. 10.1002/(SICI)1099-1573(199708)11:5<363::AID-PTR106>3.0.CO;2-U
  2. 10.1002/CHIN.200333219
  3. 10.1002/JSFA.955
  4. 10.1006/ABBI.1995.1410
  5. 10.1006/JMCC.1999.1021
  6. 10.1007/978-1-4614-0535-1_168
  7. 10.1007/BF00040133
  8. 10.1007/BF00564315
  9. 10.1007/BF00565313
  10. 10.1007/BF00566807
  11. 10.1007/BF00567050
  12. 10.1007/BF00567878
  13. 10.1007/BF00568487
  14. 10.1007/BF00599011
  15. 10.1007/BF00631041
  16. 10.1007/BF01165218
  17. 10.1007/BF01167595
  18. 10.1007/BF01372624
  19. 10.1007/BF02277510
  20. 10.1007/BF02976430
  21. 10.1007/S10600-010-9647-9
  22. 10.1007/S11418-005-0023-1
  23. 10.1007/S11746-000-0011-Y
  24. 10.1007/s00253-006-0613-1
  25. 10.1007/s10753-014-0013-0
  26. 10.1016/0003-2670(94)80134-7
  27. 10.1016/0031-9422(93)85230-O
  28. 10.1016/0031-9422(95)00433-8
  29. 10.1016/J.BMCL.2009.11.024
  30. 10.1016/J.CHROMA.2015.10.008
  31. 10.1016/J.JPBA.2010.04.019
  32. 10.1016/J.JPBA.2011.08.023
  33. 10.1016/J.PHYMED.2009.06.001
  34. 10.1016/S0021-9673(01)87399-4
  35. 10.1016/S0021-9673(98)00906-6
  36. 10.1016/S0031-9422(00)94792-7
  37. 10.1016/S0031-9422(96)00443-8
  38. 10.1016/S0031-9422(99)00306-4
  39. 10.1016/S0031-9422(99)00593-2
  40. 10.1016/S0039-9140(00)00514-2

Showing 40 of 93. See all references on COCONUT.

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.