1-methyl (1R,3R,5S,6R)-8-methyl-6-{[(2E)-2-methylbut-2-enoyl]oxy}-8-azabicyclo[3.2.1]octan-3-yl 2-methylidenebutanedioate
AlkaPlorer ID: AK193054
Synonym: None
IUPAC Name: 1-O-methyl 4-O-[(1R,3R,5S,6R)-8-methyl-6-[(E)-2-methylbut-2-enoyl]oxy-8-azabicyclo[3.2.1]octan-3-yl] 2-methylidenebutanedioate
Structure
SMILES: C=C(CC(=O)O[C@@H]1C[C@@H]2C[C@@H](OC(=O)/C(C)=C/C)[C@H](C1)N2C)C(=O)OC
InChI: InChI=1S/C19H27NO6/c1-6-11(2)19(23)26-16-9-13-8-14(10-15(16)20(13)4)25-17(21)7-12(3)18(22)24-5/h6,13-16H,3,7-10H2,1-2,4-5H3/b11-6+/t13-,14-,15+,16-/m1/s1
InChIKey: AOYQAZNNRNVKSE-RQKIFUENSA-N
Reference
Isomeric Tropane Alkaloids from the Aerial Parts of <i>Schizanthus tricolor</i>
PubChem CID: 21599003
LOTUS: LTS0156008
SuperNatural Ⅲ: SN0011447-04
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Schizanthus tricolor | Schizanthus | Solanaceae | Solanales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 365.4260000000001
TPSA？: 82.14
MolLogP？: 1.7619999999999998
Number of H-Donors: 0
Number of H-Acceptors: 7
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|