Molecule

Anisodamine

AlkaPlorer ID: AK000889

Synonym: 'Anisodamine', '6-Hydroxyhyoscyamine hydrobromide', '(+)-7b-Hydroxyhyoscyamine', '7beta-Hydroxyhyoscyamine', '6beta-Hydroxyhyoscyamine', '6-Hydroxyhyoscyamine'

IUPAC Name: [(1S,3R,5S,6S)-6-hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] (2S)-3-hydroxy-2-phenylpropanoate

Structure

SMILES: CN1[C@@H]2C[C@@H](OC(=O)[C@H](CO)C3=CC=CC=C3)C[C@H]1[C@@H](O)C2

InChI: InChI=1S/C17H23NO4/c1-18-12-7-13(9-15(18)16(20)8-12)22-17(21)14(10-19)11-5-3-2-4-6-11/h2-6,12-16,19-20H,7-10H2,1H3/t12-,13-,14-,15+,16+/m1/s1

InChIKey: WTQYWNWRJNXDEG-SUJAAXHWSA-N

Reference

Alkaloids of Scopolia tangutica

PubChem CID: 929216

LOTUS: LTS0007198

SuperNatural Ⅲ: SN0419729-23

NPASS: NPC155853

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: 305.374

TPSA？: 70.0

MolLogP？: 0.9016999999999992

Number of H-Donors: 2

Number of H-Acceptors: 5

RingCount: 3

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi