Molecule

(1R,3S,5S,6R,7R)-7-hydroxy-8-methyl-3-{[(2E)-2-methylbut-2-enoyl]oxy}-8-azabicyclo[3.2.1]octan-6-yl (2E)-2-methylbut-2-enoate

AlkaPlorer ID: AK009503

Synonym: None

IUPAC Name: [(1S,3S,5R,6R,7R)-6-hydroxy-8-methyl-7-[(E)-2-methylbut-2-enoyl]oxy-8-azabicyclo[3.2.1]octan-3-yl] (E)-2-methylbut-2-enoate

Structure

SMILES: C/C=C(\C)C(=O)O[C@H]1C[C@@H]2[C@@H](O)[C@H](OC(=O)/C(C)=C/C)[C@H](C1)N2C

InChI: InChI=1S/C18H27NO5/c1-6-10(3)17(21)23-12-8-13-15(20)16(14(9-12)19(13)5)24-18(22)11(4)7-2/h6-7,12-16,20H,8-9H2,1-5H3/b10-6+,11-7+/t12-,13+,14-,15+,16+/m0/s1

InChIKey: FRQMNJFBOJQRAQ-AUBXHGJTSA-N

Reference

A note on the alkaloidal content of <i>Datura innoxia</i> Miller

PubChem CID: 162996037

LOTUS: LTS0111266

SuperNatural Ⅲ: SN0093726-09

NPASS: NPC52983

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Sargassum yezoense	Sargassum	Sargassaceae	Fucales	Phaeophyceae	None	None	Eukaryota
Paeonia emodi	Paeonia	Paeoniaceae	Saxifragales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Streptomyces flaveolus	Streptomyces	Streptomycetaceae	Kitasatosporales	Actinomycetes	Actinomycetota	None	Bacteria
Lavandula multifida	Lavandula	Lamiaceae	Lamiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Chenopodium album	Chenopodium	Chenopodiaceae	Caryophyllales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Properties Information

Molecule Weight: 337.41600000000005

TPSA？: 76.07000000000001

MolLogP？: 1.5797

Number of H-Donors: 1

Number of H-Acceptors: 6

RingCount: 2

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi