Orientalidine
AlkaPlorer ID: AK022857
Synonym: 'Bractavine'
IUPAC Name: (1S)-10,24-dimethoxy-6,8,20,22-tetraoxa-14-azahexacyclo[12.11.0.03,12.04,9.017,25.019,23]pentacosa-3,9,11,17,19(23),24-hexaene
Structure
SMILES: COC1=CC2=C(C[C@H]3C4=C(OC)C5=C(C=C4CCN3C2)OCO5)C2=C1OCOC2
InChI: InChI=1S/C22H23NO6/c1-24-17-6-13-8-23-4-3-12-5-18-21(29-11-27-18)22(25-2)19(12)16(23)7-14(13)15-9-26-10-28-20(15)17/h5-6,16H,3-4,7-11H2,1-2H3/t16-/m0/s1
InChIKey: QJZHAQOTBKWPGS-INIZCTEOSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Papaver orientale | Papaver | Papaveraceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 397.42700000000025
TPSA？: 58.620000000000005
MolLogP？: 2.9545000000000003
Number of H-Donors: 0
Number of H-Acceptors: 7
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Electrophorus electricus | Acetylcholinesterase | IC50 | 5000.0 | nM | 10.1021/acs.jnatprod.1c00980 |
| Electrophorus electricus | Acetylcholinesterase | Ki | 2000.0 | nM | 10.1021/acs.jnatprod.1c00980 |
| Equus caballus | Cholinesterase | IC50 | 104000.0 | nM | 10.1021/acs.jnatprod.1c00980 |
| Equus caballus | Cholinesterase | Ki | 35500.0 | nM | 10.1021/acs.jnatprod.1c00980 |
| Homo sapiens | Acetylcholinesterase | IC50 | 19900.0 | nM | 10.1021/acs.jnatprod.1c00980 |
| Homo sapiens | Acetylcholinesterase | Ki | 13700.0 | nM | 10.1021/acs.jnatprod.1c00980 |