(1~{S},2~{R},3~{R},4~{S},5~{R},6~{S},8~{R},9~{S},10~{S},13~{S},16~{R},17~{R},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

CNP0212948.5 · C26H43NO7 · View on COCONUT ↗

2D Structure

Download 2D SDF Download 3D SDF

Identifiers

IUPAC Name	(1~{S},2~{R},3~{R},4~{S},5~{R},6~{S},8~{R},9~{S},10~{S},13~{S},16~{R},17~{R},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	CNP0212948.5
InChIKey	FYNCELMSVIDJLX-NJCARJOISA-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-/m1/s1
SMILES	CCN1C[C@]2(COC)CC[C@@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](OC)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@](O)([C@@H](OC)[C@H]23)[C@@H]14

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
Chrysopogon zizanioides	as “Vetiveria zizanioides” in COCONUT

References (3)

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.

COCONUT Compound