1-methyl (1S,3S,5R,6S)-8-methyl-6-{[(2E)-2-methylbut-2-enoyl]oxy}-8-azabicyclo[3.2.1]octan-3-yl (2E)-2-methylbut-2-enedioate
AlkaPlorer ID: AK229919
Synonym: None
IUPAC Name: 1-O-methyl 4-O-[(1S,3S,5R,6S)-8-methyl-6-[(E)-2-methylbut-2-enoyl]oxy-8-azabicyclo[3.2.1]octan-3-yl] (E)-2-methylbut-2-enedioate
Structure
SMILES: C/C=C(\C)C(=O)O[C@H]1C[C@@H]2C[C@H](OC(=O)/C=C(\C)C(=O)OC)C[C@H]1N2C
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/h6-7,13-16H,8-10H2,1-5H3/b11-6+,12-7+/t13-,14-,15+,16-/m0/s1
InChIKey: HTJMXYOKUGEWDB-AVNBRKTCSA-N
Reference
Tropane Alkaloids from Schizanthus pinnatus
PubChem CID: 162942468
LOTUS: LTS0273884
SuperNatural Ⅲ: SN0134893-01
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Schizanthus pinnatus | Schizanthus | Solanaceae | Solanales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 365.4260000000001
TPSA？: 82.14
MolLogP？: 1.762
Number of H-Donors: 0
Number of H-Acceptors: 7
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|