Schizanthine E
AlkaPlorer ID: AK068058
Synonym: ''
IUPAC Name: 1-O-[(1S,3S,5R,6S)-3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-6-yl] 4-O-[(1R,3R,5S,6R)-8-methyl-6-[(Z)-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)O[C@H]1C[C@@H]2C[C@H](O)C[C@H]1N2C
InChI: InChI=1S/C26H38N2O7/c1-6-14(2)25(31)34-23-11-17-9-19(13-21(23)28(17)5)33-24(30)7-15(3)26(32)35-22-10-16-8-18(29)12-20(22)27(16)4/h6,16-23,29H,3,7-13H2,1-2,4-5H3/b14-6-/t16-,17+,18-,19+,20+,21-,22-,23+/m0/s1
InChIKey: KOHKWULQOJFCAA-UUMHXYJISA-N
Reference
Tropane alkaloids from Schizanthus grahamii
PubChem CID: 162944104
LOTUS: LTS0123895
SuperNatural Ⅲ: SN0190980-03
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Schizanthus grahamii | Schizanthus | Solanaceae | Solanales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 490.59700000000026
TPSA？: 105.61
MolLogP？: 1.7282000000000004
Number of H-Donors: 1
Number of H-Acceptors: 9
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|