Cassiarin E
AlkaPlorer ID: AK045926
Synonym: 'cassiarin E', '(-)-Cassiarin E'
IUPAC Name: 3-[[(3S)-11-hydroxy-3,7-dimethyl-2-oxa-6-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-3-yl]methyl]-7-methyl-2-oxa-6-azatricyclo[7.3.1.05,13]trideca-1(12),3,5(13),7,9-pentaen-11-one
Structure
SMILES: CC1=CC2=CC(O)=CC3=C2C(=N1)C=C(C[C@]1(C)CC2=NC(C)=CC4=CC(O)=CC(=C24)O1)O3
InChI: InChI=1S/C26H22N2O4/c1-13-4-15-6-17(29)8-22-24(15)20(27-13)10-19(31-22)11-26(3)12-21-25-16(5-14(2)28-21)7-18(30)9-23(25)32-26/h4-10,29-30H,11-12H2,1-3H3/t26-/m1/s1
InChIKey: QFASAGFSZZZDBJ-AREMUKBSSA-N
Reference
Cassiarins C−E, Antiplasmodial Alkaloids from the Flowers of <i>Cassia siamea</i>
LOTUS: LTS0094244
SuperNatural Ⅲ: SN0303659-02
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Senna siamea | Senna | Fabaceae | Fabales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 426.47200000000015
TPSA？: 84.70000000000002
MolLogP？: 5.3282400000000045
Number of H-Donors: 2
Number of H-Acceptors: 6
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|