Schizanthine A
AlkaPlorer ID: AK126928
Synonym: ''
IUPAC Name: 4-O-ethyl 1-O-[(1R,3R,5S,6S)-8-methyl-6-(3-methylbut-2-enoyloxy)-8-azabicyclo[3.2.1]octan-3-yl] (E)-2-methylbut-2-enedioate
Structure
SMILES: CCOC(=O)/C=C(\C)C(=O)O[C@@H]1C[C@@H]2C[C@H](OC(=O)C=C(C)C)[C@H](C1)N2C
InChI: InChI=1S/C20H29NO6/c1-6-25-18(22)8-13(4)20(24)26-15-9-14-10-17(16(11-15)21(14)5)27-19(23)7-12(2)3/h7-8,14-17H,6,9-11H2,1-5H3/b13-8+/t14-,15-,16+,17+/m1/s1
InChIKey: LTHNNGQCWYQQLA-PBMXCAIQSA-N
Reference
Schizanthin A und B, zwei neue tropanalkaloide aus Schizanthus pinnatus
PubChem CID: 162952789
LOTUS: LTS0160954
SuperNatural Ⅲ: SN0214845-01
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 |
|---|