1-ethyl (1S,3S,5R,6S)-8-methyl-6-{[(2E)-2-methylbut-2-enoyl]oxy}-8-azabicyclo[3.2.1]octan-3-yl 2-methylidenebutanedioate
AlkaPlorer ID: AK011384
Synonym: None
IUPAC Name: 1-O-ethyl 4-O-[(1S,3S,5R,6S)-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)OCC
InChI: InChI=1S/C20H29NO6/c1-6-12(3)20(24)27-17-10-14-9-15(11-16(17)21(14)5)26-18(22)8-13(4)19(23)25-7-2/h6,14-17H,4,7-11H2,1-3,5H3/b12-6+/t14-,15-,16+,17-/m0/s1
InChIKey: WMFMZTXHTPOWMQ-DPWZBHSMSA-N
Reference
Tropane Alkaloids from Schizanthus pinnatus
PubChem CID: 162946847
LOTUS: LTS0112166
SuperNatural Ⅲ: SN0414073-02
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Schizanthus pinnatus | Schizanthus | Solanaceae | Solanales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 379.45300000000015
TPSA？: 82.14
MolLogP？: 2.1521
Number of H-Donors: 0
Number of H-Acceptors: 7
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|