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COCONUT Compound
(+)-Bornyl diphosphate
CNP0035894.1 · C10H20O7P2 · View on COCONUT ↗
2D Structure
Identifiers
| Name | (+)-Bornyl diphosphate |
|---|---|
| IUPAC Name | phosphono [(1~{R},2~{S},4~{R})-1,7,7-trimethylnorbornan-2-yl] hydrogen phosphate |
| COCONUT ID | CNP0035894.1 |
| InChIKey | VZPAJODTZAAANV-WEDXCCLWSA-N |
| InChI | InChI=1S/C10H20O7P2/c1-9(2)7-4-5-10(9,3)8(6-7)16-19(14,15)17-18(11,12)13/h7-8H,4-6H2,1-3H3,(H,14,15)(H2,11,12,13)/t7-,8+,10+/m1/s1 |
| SMILES | CC1(C)[C@@H]2CC[C@@]1(C)[C@@H](O[P@](=O)(O)OP(=O)(O)O)C2 |
Properties
| Molecular Formula | C10H20O7P2 |
|---|---|
| Molecular Weight | 314.21 |
| Exact Mass | 314.06843 |
| Log P (ALogP) | 2.43 |
| TPSA | 113.29 |
| H-Bond Donors / Acceptors | 3 / 4 |
| Rotatable Bonds | 4 |
| Lipinski's Rule of 5 Violations | 0 |
| QED Drug-likeness | 0.68 |
| NP-likeness | 1.78 |
Classification
| NP Pathway | Terpenoids |
|---|---|
| NP Superclass | Monoterpenoids |
| NP Class | Camphane monoterpenoids |
| Chemical Superclass | Lipids and lipid-like molecules |
| Chemical Class | Prenol lipids |
| Chemical Subclass | Monoterpenoids |
Reported in GR-MAPs Plants
| 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.