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COCONUT Compound
Geranyl diphosphate
CNP0343392.1 · C10H20O7P2 · View on COCONUT ↗
2D Structure
Identifiers
| Name | Geranyl diphosphate |
|---|---|
| IUPAC Name | [(2~{E})-3,7-dimethylocta-2,6-dienyl] phosphono hydrogen phosphate |
| COCONUT ID | CNP0343392.1 |
| InChIKey | GVVPGTZRZFNKDS-JXMROGBWSA-N |
| InChI | InChI=1S/C10H20O7P2/c1-9(2)5-4-6-10(3)7-8-16-19(14,15)17-18(11,12)13/h5,7H,4,6,8H2,1-3H3,(H,14,15)(H2,11,12,13)/b10-7+ |
| SMILES | CC(C)=CCC/C(C)=C/CO[P@@](=O)(O)OP(=O)(O)O |
Properties
| Molecular Formula | C10H20O7P2 |
|---|---|
| Molecular Weight | 314.21 |
| Exact Mass | 314.06843 |
| Log P (ALogP) | 2.91 |
| TPSA | 113.29 |
| H-Bond Donors / Acceptors | 3 / 4 |
| Rotatable Bonds | 8 |
| Lipinski's Rule of 5 Violations | 0 |
| QED Drug-likeness | 0.47 |
| NP-likeness | 2.13 |
Classification
| NP Pathway | Terpenoids |
|---|---|
| NP Superclass | Monoterpenoids |
| NP Class | Acyclic monoterpenoids |
| Chemical Superclass | Organic oxygen compounds |
| Chemical Class | Organic oxoanionic compounds |
| Chemical Subclass | Organic pyrophosphates |
Reported in GR-MAPs Plants
| Arabidopsis thaliana | as “Arabidopsis thaliana” in COCONUT |
|---|---|
| Salvia officinalis | as “Salvia officinalis” 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.