6-({6-[2-(dimethylamino)ethyl]-2H-1,3-benzodioxol-5-yl}methyl)-6-hydroxy-2H,6H,7H,8H-[1,3]dioxolo[4,5-e]isoindol-8-one
AlkaPlorer ID: AK397340
Synonym: None
IUPAC Name: (6S)-6-[[6-[2-(dimethylamino)ethyl]-1,3-benzodioxol-5-yl]methyl]-6-hydroxy-7H-[1,3]dioxolo[4,5-g]isoindol-8-one
Structure
SMILES: CN(C)CCC1=CC2=C(C=C1C[C@@]1(O)N=C(O)C3=C4OCOC4=CC=C31)OCO2
InChI: InChI=1S/C21H22N2O6/c1-23(2)6-5-12-7-16-17(28-10-27-16)8-13(12)9-21(25)14-3-4-15-19(29-11-26-15)18(14)20(24)22-21/h3-4,7-8,25H,5-6,9-11H2,1-2H3,(H,22,24)/t21-/m0/s1
InChIKey: HDYGYRAGBYWVRP-NRFANRHFSA-N
Reference
Fumschleicherine, an alkaloid of Fumaria schleicheri
PubChem CID: 163193027
LOTUS: LTS0193271
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Fumaria schleicheri | Fumaria | Papaveraceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 398.41500000000025
TPSA？: 92.98000000000002
MolLogP？: 1.9541
Number of H-Donors: 2
Number of H-Acceptors: 7
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|