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COCONUT Compound
9beta-Pimara-7,15-diene
CNP0165920.2 · C20H32 · View on COCONUT ↗
2D Structure
Identifiers
| Name | 9beta-Pimara-7,15-diene |
|---|---|
| IUPAC Name | (2~{R},4~{a}~{R},4~{b}~{S},8~{a}~{S})-2,4~{b},8,8-tetramethyl-2-vinyl-3,4,4~{a},5,6,7,8~{a},9-octahydro-1~{H}-phenanthrene |
| COCONUT ID | CNP0165920.2 |
| InChIKey | VCOVNILQQQZROK-PIKOESSRSA-N |
| InChI | InChI=1S/C20H32/c1-6-19(4)13-10-16-15(14-19)8-9-17-18(2,3)11-7-12-20(16,17)5/h6,8,16-17H,1,7,9-14H2,2-5H3/t16-,17+,19-,20-/m1/s1 |
| SMILES | C=C[C@]1(C)CC[C@@H]2C(=CC[C@H]3C(C)(C)CCC[C@]23C)C1 |
Properties
| Molecular Formula | C20H32 |
|---|---|
| Molecular Weight | 272.48 |
| Exact Mass | 272.25040 |
| Log P (ALogP) | 6.14 |
| TPSA | 0.00 |
| H-Bond Donors / Acceptors | 0 / 0 |
| Rotatable Bonds | 1 |
| Lipinski's Rule of 5 Violations | 1 |
| QED Drug-likeness | 0.50 |
| NP-likeness | 3.63 |
Classification
| NP Pathway | Terpenoids |
|---|---|
| NP Superclass | Diterpenoids |
| NP Class | Pimarane and Isopimarane diterpenoids |
| Chemical Superclass | Lipids and lipid-like molecules |
| Chemical Class | Prenol lipids |
| Chemical Subclass | Diterpenoids |
Reported in GR-MAPs Plants
| Oryza sativa | as “Oryza sativa” 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.