(5S)-5-[(3,4-dimethoxyphenyl)methyl]-6,6-dimethyl-2H,5H,7H,8H-[1,3]dioxolo[4,5-g]isoquinolin-6-ium
AlkaPlorer ID: AK460924
Synonym: None
IUPAC Name: (5S)-5-[(3,4-dimethoxyphenyl)methyl]-6,6-dimethyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-ium
Structure
SMILES: COC1=CC=C(C[C@H]2C3=CC4=C(C=C3CC[N+]2(C)C)OCO4)C=C1OC
InChI: InChI=1S/C21H26NO4/c1-22(2)8-7-15-11-20-21(26-13-25-20)12-16(15)17(22)9-14-5-6-18(23-3)19(10-14)24-4/h5-6,10-12,17H,7-9,13H2,1-4H3/q+1/t17-/m0/s1
InChIKey: MUXHEYZUYGHZLN-KRWDZBQOSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Eschscholzia californica | Eschscholzia | Papaveraceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 356.4420000000001
TPSA？: 36.92
MolLogP？: 3.3488000000000016
Number of H-Donors: 0
Number of H-Acceptors: 4
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|