×
![]()
COCONUT Compound
(1~{R},2~{S},3~{S},4~{S},5~{S},6~{R},8~{S},9~{R},10~{R},13~{R},16~{S},17~{S},18~{S})-11-ethyl-4,6,16,18-tetramethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1^{2,5}.0^{1,10}.0^{3,8}.0^{13,17}]nonadecane-8,9-diol
CNP0212948.4 · C26H43NO7 · View on COCONUT ↗
2D Structure
Identifiers
| IUPAC Name | (1~{R},2~{S},3~{S},4~{S},5~{S},6~{R},8~{S},9~{R},10~{R},13~{R},16~{S},17~{S},18~{S})-11-ethyl-4,6,16,18-tetramethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1^{2,5}.0^{1,10}.0^{3,8}.0^{13,17}]nonadecane-8,9-diol |
|---|---|
| COCONUT ID | CNP0212948.4 |
| InChIKey | FYNCELMSVIDJLX-BOTGDMOFSA-N |
| InChI | InChI=1S/C26H43NO7/c1-7-27-12-23(13-30-2)9-8-17(32-4)25-15-10-14-16(31-3)11-24(28,18(15)19(14)33-5)26(29,22(25)27)21(34-6)20(23)25/h14-22,28-29H,7-13H2,1-6H3/t14-,15-,16+,17-,18-,19-,20-,21-,22+,23+,24-,25+,26-/m0/s1 |
| SMILES | CCN1C[C@@]2(COC)CC[C@H](OC)[C@@]34[C@@H]1[C@@](O)([C@@H](OC)[C@@H]23)[C@]1(O)C[C@@H](OC)[C@@H]2C[C@H]4[C@H]1[C@H]2OC |
Properties
| Molecular Formula | C26H43NO7 |
|---|---|
| Molecular Weight | 481.63 |
| Exact Mass | 481.30395 |
| Log P (ALogP) | 0.93 |
| TPSA | 89.85 |
| H-Bond Donors / Acceptors | 2 / 8 |
| Rotatable Bonds | 7 |
| Lipinski's Rule of 5 Violations | 0 |
| QED Drug-likeness | 0.56 |
| NP-likeness | 3.71 |
Classification
| NP Pathway | Alkaloids |
|---|---|
| NP Superclass | Pseudoalkaloids |
| NP Class | Terpenoid alkaloids |
| Chemical Superclass | Lipids and lipid-like molecules |
| Chemical Class | Prenol lipids |
| Chemical Subclass | Diterpenoids |
Reported in GR-MAPs Plants
| Mucuna pruriens | as “Mucuna pruriens” in COCONUT |
|---|
References (1)
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.