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COCONUT Compound
Geranylgeranyl diphosphate
CNP0343387.1 · C20H36O7P2 · View on COCONUT ↗
2D Structure
Identifiers
| Name | Geranylgeranyl diphosphate |
|---|---|
| IUPAC Name | phosphono [(2~{E},6~{E},10~{E})-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl] hydrogen phosphate |
| COCONUT ID | CNP0343387.1 |
| InChIKey | OINNEUNVOZHBOX-QIRCYJPOSA-N |
| InChI | InChI=1S/C20H36O7P2/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-26-29(24,25)27-28(21,22)23/h9,11,13,15H,6-8,10,12,14,16H2,1-5H3,(H,24,25)(H2,21,22,23)/b18-11+,19-13+,20-15+ |
| SMILES | CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CO[P@@](=O)(O)OP(=O)(O)O |
Properties
| Molecular Formula | C20H36O7P2 |
|---|---|
| Molecular Weight | 450.45 |
| Exact Mass | 450.19363 |
| Log P (ALogP) | 6.36 |
| TPSA | 113.29 |
| H-Bond Donors / Acceptors | 3 / 4 |
| Rotatable Bonds | 14 |
| Lipinski's Rule of 5 Violations | 1 |
| QED Drug-likeness | 0.21 |
| NP-likeness | 1.50 |
Classification
| NP Pathway | Terpenoids |
|---|---|
| NP Superclass | Sesquiterpenoids |
| NP Class | Bactoprenols |
| Chemical Superclass | Lipids and lipid-like molecules |
| Chemical Class | Prenol lipids |
| Chemical Subclass | Diterpenoids |
Reported in GR-MAPs Plants
| Nicotiana tabacum | as “Nicotiana tabacum” in COCONUT |
|---|---|
| Arabidopsis thaliana | as “Arabidopsis thaliana” in 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.