Molecule

None

AlkaPlorer ID: AK028552

Synonym: 'Daturamine hydrobromide', '?-Hydroxyscopolamine hydrobromide'

IUPAC Name: [(1R,2R,4S,5S)-9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-yl] (2S)-2,3-dihydroxy-2-phenylpropanoate

Structure

SMILES: CN1[C@@H]2C[C@@H](OC(=O)[C@@](O)(CO)C3=CC=CC=C3)C[C@H]1[C@@H]1O[C@@H]12

InChI: InChI=1S/C17H21NO5/c1-18-12-7-11(8-13(18)15-14(12)23-15)22-16(20)17(21,9-19)10-5-3-2-4-6-10/h2-6,11-15,19,21H,7-9H2,1H3/t11-,12-,13+,14-,15+,17-/m1/s1

InChIKey: JEJREKXHLFEVHN-VJDHNPKBSA-N

Reference

NPASS: NPC29017

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Fagopyrum tataricum	Fagopyrum	Polygonaceae	Caryophyllales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Uvaria cuneifolia	Uvaria	Annonaceae	Magnoliales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Acer palmatum	Acer	Sapindaceae	Sapindales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Dioncophyllum thollonii	Dioncophyllum	Dioncophyllaceae	Caryophyllales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Montanoa speciosa	Montanoa	Asteraceae	Asterales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Rhamnus davurica	Rhamnus	Rhamnaceae	Rosales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Phacelia minor	Phacelia	Hydrophyllaceae	Boraginales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Dermophis mexicanus	Dermophis	Dermophiidae	Gymnophiona	Amphibia	Chordata	Metazoa	Eukaryota

Properties Information

Molecule Weight: 319.3570000000001

TPSA？: 82.53

MolLogP？: 0.0220999999999995

Number of H-Donors: 2

Number of H-Acceptors: 6

RingCount: 4

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi