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COCONUT Compound

Gibberellin A7

CNP0412455.1 · C19H22O5 · View on COCONUT ↗

2D Structure

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Identifiers

NameGibberellin A7
IUPAC Name(1~{R},2~{R},5~{R},8~{R},9~{S},10~{R},11~{S},12~{S})-12-hydroxy-11-methyl-6-methylene-16-oxo-15-oxapentacyclo[9.3.2.1^{5,8}.0^{1,10}.0^{2,8}]heptadec-13-ene-9-carboxylic acid
COCONUT IDCNP0412455.1
CAS510-75-8
InChIKeySEEGHKWOBVVBTQ-NFMPGMCNSA-N
InChIInChI=1S/C19H22O5/c1-9-7-18-8-10(9)3-4-11(18)19-6-5-12(20)17(2,16(23)24-19)14(19)13(18)15(21)22/h5-6,10-14,20H,1,3-4,7-8H2,2H3,(H,21,22)/t10-,11-,12+,13-,14-,17-,18+,19-/m1/s1
SMILESC=C1C[C@]23C[C@H]1CC[C@H]2[C@@]12C=C[C@H](O)[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O

Properties

Molecular FormulaC19H22O5
Molecular Weight330.38
Exact Mass330.14672
Log P (ALogP)1.91
TPSA83.83
H-Bond Donors / Acceptors2 / 4
Rotatable Bonds1
Lipinski's Rule of 5 Violations0
QED Drug-likeness0.57
NP-likeness3.50

Classification

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

Reported in GR-MAPs Plants

Arabidopsis thaliana as “Arabidopsis thaliana” in COCONUT
Daucus carota as “Daucus Carota” in COCONUT
Oryza sativa as “Oryza sativa” in COCONUT

References (13)

  1. 10.1007/BF00399923
  2. 10.1016/0031-9422(92)80325-9
  3. 10.1016/J.PHYTOCHEM.2007.08.026
  4. 10.1016/S0031-9422(00)86837-5
  5. 10.1016/S0040-4020(01)92692-4
  6. 10.1034/J.1399-3054.1992.850312.X
  7. 10.1034/J.1399-3054.1995.950110.X
  8. 10.1093/JXB/ERM162
  9. 10.1104/pp.113.234401
  10. 10.1111/J.1399-3054.1987.TB04342.X
  11. 10.1139/B70-121
  12. 10.1139/B99-090
  13. 10.2503/JJSHS.68.1158

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.