Molecule

Hexahydro-2-hydroxy-2-methyl-1H-pyrrolizine-1-carboxylic acid; (1S,2S,7aS)-form, Me ester

AlkaPlorer ID: AK300323

Synonym: Tussilagine

IUPAC Name: methyl 2-hydroxy-2-methyl-1,3,5,6,7,8-hexahydropyrrolizine-1-carboxylate

SMILES: COC(=O)C1C2CCCN2CC1(C)O

InChI: InChI=1S/C10H17NO3/c1-10(13)6-11-5-3-4-7(11)8(10)9(12)14-2/h7-8,13H,3-6H2,1-2H3

InChIKey: LADVYSUMGRTFSZ-UHFFFAOYSA-N

PubChem CID: 4484216

CAS: 91108-32-6

LOTUS: LTS0047218

COCONUT: CNP0127376.4

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Echinacea purpurea	Echinacea	Asteraceae	Asterales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Arnica amplexicaulis	Arnica	Asteraceae	Asterales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Echinacea angustifolia	Echinacea	Asteraceae	Asterales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Tussilago farfara	Tussilago	Asteraceae	Asterales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Arnica montana	Arnica	Asteraceae	Asterales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
None	Arnica	Asteraceae	Asterales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Molecule Weight: 199.25

TPSA？: 49.77

MolLogP？: 0.0045999999999999

Number of H-Donors: 1

Number of H-Acceptors: 4

RingCount: 2

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi