Molecule

UNPD154698

AlkaPlorer ID: AK144447

Synonym: None

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

SMILES: CC=C(C)C(=O)O[C@H]1[C@H](O)[C@@H]2C[C@@H](O)C[C@H]1N2C

InChI: InChI=1S/C13H21NO4/c1-4-7(2)13(17)18-12-10-6-8(15)5-9(11(12)16)14(10)3/h4,8-12,15-16H,5-6H2,1-3H3/t8-,9+,10-,11-,12-/m1/s1

InChIKey: QYQKPLMVSBIKQI-IYKVGLELSA-N

PubChem CID: 162968179

LOTUS: LTS0052309

NPASS: NPC86832

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

Molecule Weight: 255.314

TPSA？: 70.0

MolLogP？: 0.0625999999999995

Number of H-Donors: 2

Number of H-Acceptors: 5

RingCount: 2

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi