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COCONUT Compound

Gibberellin A19

CNP0330746.2 · C20H26O6 · View on COCONUT ↗

2D Structure

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Identifiers

NameGibberellin A19
IUPAC Name(1~{S},2~{S},3~{S},4~{R},8~{R},9~{R},12~{S})-8-formyl-12-hydroxy-4-methyl-13-methylene-tetracyclo[10.2.1.0^{1,9}.0^{3,8}]pentadecane-2,4-dicarboxylic acid
COCONUT IDCNP0330746.2
CAS6980-44-5
InChIKeyVNCQCPQAMDQEBY-YTJHIPEWSA-N
InChIInChI=1S/C20H26O6/c1-11-8-19-9-20(11,26)7-4-12(19)18(10-21)6-3-5-17(2,16(24)25)14(18)13(19)15(22)23/h10,12-14,26H,1,3-9H2,2H3,(H,22,23)(H,24,25)/t12-,13+,14+,17+,18+,19-,20-/m0/s1
SMILESC=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@]1(C=O)CCC[C@@](C)(C(=O)O)[C@H]1[C@@H]3C(=O)O

Properties

Molecular FormulaC20H26O6
Molecular Weight362.42
Exact Mass362.17294
Log P (ALogP)2.25
TPSA111.90
H-Bond Donors / Acceptors3 / 4
Rotatable Bonds3
Lipinski's Rule of 5 Violations0
QED Drug-likeness0.52
NP-likeness3.28

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 (45)

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Showing 40 of 45. 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.