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COCONUT Compound

Gibberellin A9

CNP0200087.3 · C19H24O4 · View on COCONUT ↗

2D Structure

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Identifiers

NameGibberellin A9
IUPAC Name(1~{R},2~{R},5~{R},8~{R},9~{S},10~{R},11~{R})-11-methyl-6-methylene-16-oxo-15-oxapentacyclo[9.3.2.1^{5,8}.0^{1,10}.0^{2,8}]heptadecane-9-carboxylic acid
COCONUT IDCNP0200087.3
CAS427-77-0
InChIKeyMHVYWTXXZIFXDT-YGNOGLJPSA-N
InChIInChI=1S/C19H24O4/c1-10-8-18-9-11(10)4-5-12(18)19-7-3-6-17(2,16(22)23-19)14(19)13(18)15(20)21/h11-14H,1,3-9H2,2H3,(H,20,21)/t11-,12-,13-,14-,17-,18+,19-/m1/s1
SMILESC=C1C[C@]23C[C@H]1CC[C@H]2[C@@]12CCC[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O

Properties

Molecular FormulaC19H24O4
Molecular Weight316.40
Exact Mass316.16746
Log P (ALogP)3.17
TPSA63.60
H-Bond Donors / Acceptors1 / 3
Rotatable Bonds1
Lipinski's Rule of 5 Violations0
QED Drug-likeness0.60
NP-likeness3.47

Classification

NP PathwayTerpenoids
NP SuperclassDiterpenoids
NP ClassGibberellins
Chemical SuperclassLipids and lipid-like molecules
Chemical ClassPrenol lipids
Chemical SubclassDiterpenoids

Reported in GR-MAPs Plants

Nicotiana tabacum as “Nicotiana Tabacum” in COCONUT
Arabidopsis thaliana as “Arabidopsis thaliana” in COCONUT
Oryza sativa as “Oryza Sativa” in COCONUT

References (23)

  1. 10.1007/BF00388388
  2. 10.1016/J.PHYTOCHEM.2007.08.026
  3. 10.1016/S0015-3796(17)30426-2
  4. 10.1016/S0031-9422(00)80147-8
  5. 10.1016/S0031-9422(00)80382-9
  6. 10.1016/S0031-9422(00)82904-0
  7. 10.1016/S0031-9422(01)00154-6
  8. 10.1016/S0040-4020(01)92692-4
  9. 10.1016/s0040-4020(01)92692-4
  10. 10.1073/PNAS.87.20.7983
  11. 10.1080/00021369.1989.10869242
  12. 10.1080/00021369.1989.10869708
  13. 10.1104/PP.100.4.1823
  14. 10.1104/PP.113.4.1369
  15. 10.1104/PP.122.2.471
  16. 10.1104/PP.78.1.8
  17. 10.1104/PP.78.4.899
  18. 10.1104/PP.86.3.857
  19. 10.1104/PP.99.4.1575
  20. 10.1111/J.1399-3054.1989.TB05975.X
  21. 10.1271/BBB.63.192
  22. 10.1271/BBB1961.53.2817
  23. 10.1271/BBB1961.54.837

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.