Schizanthine O
AlkaPlorer ID: AK056646
Synonym: '3alpha-(E)-4-hydroxysenecioyloxy-6beta-senecioyloxytropane'
IUPAC Name: [(1R,3R,5S,6R)-8-methyl-6-(3-methylbut-2-enoyloxy)-8-azabicyclo[3.2.1]octan-3-yl] (E)-4-hydroxy-3-methylbut-2-enoate
Structure
SMILES: CC(C)=CC(=O)O[C@@H]1C[C@H]2C[C@@H](OC(=O)/C=C(\C)CO)C[C@@H]1N2C
InChI: InChI=1S/C18H27NO5/c1-11(2)5-17(21)24-16-8-13-7-14(9-15(16)19(13)4)23-18(22)6-12(3)10-20/h5-6,13-16,20H,7-10H2,1-4H3/b12-6+/t13-,14-,15+,16-/m1/s1
InChIKey: IIIIUNUEKKQHPF-UMDHEIRRSA-N
Reference
Schizanthines N, O, and P, Tropane Alkaloids from the Aerial Parts of <i>Schizanthus tricolor</i>
PubChem CID: 50994148
LOTUS: LTS0242147
SuperNatural Ⅲ: SN0146439-02
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Schizanthus tricolor | Schizanthus | Solanaceae | Solanales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 337.4160000000001
TPSA？: 76.07
MolLogP？: 1.5813
Number of H-Donors: 1
Number of H-Acceptors: 6
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|