2,3-Dihydropyrrolo[2,1-b]quinazolin-9(1H)-one; 9ξ-Alcohol
AlkaPlorer ID: AK295953
Synonym: 1,2,3,9-Tetrahydropyrrolo[2,1-b]quinazolin-9-ol, Peganol, 9-Hydroxydeoxypeganine
IUPAC Name: 2,3,4,9-tetrahydro-1H-pyrrolo[2,1-b]quinazolin-10-ium-9-ol
Structure
SMILES: OC1C2=C(C=CC=C2)[NH+]=C2CCCN21
InChI: InChI=1S/C11H12N2O/c14-11-8-4-1-2-5-9(8)12-10-6-3-7-13(10)11/h1-2,4-5,11,14H,3,6-7H2/p+1
InChIKey: RDWJAMWCGSWTQS-UHFFFAOYSA-O
Reference
Method for the quantitative determination of deoxypeganine from Peganum harmala
CAS: 36101-54-9
LOTUS: LTS0086551
NPASS: NPC226662
COCONUT: CNP0315645.2
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Linaria vulgaris | Linaria | Plantaginaceae | Lamiales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Peganum harmala | Peganum | Nitrariaceae | Sapindales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 189.238
TPSA？: 37.440000000000005
MolLogP？: -0.1024999999999998
Number of H-Donors: 2
Number of H-Acceptors: 2
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Chlamydia pneumoniae | Chlamydia pneumoniae | IC50 | 35100.0 | nM | 10.1021/acs.jnatprod.6b01052 |
| Chlamydia pneumoniae | Chlamydia pneumoniae | Inhibition | 66.2 | % | 10.1021/acs.jnatprod.6b01052 |
| Electrophorus electricus | Acetylcholinesterase | IC50 | nan | None | 10.1016/j.bmc.2012.09.040 |
| Electrophorus electricus | Acetylcholinesterase | Inhibition | 39.32 | % | 10.1016/j.bmc.2012.09.040 |
| Equus caballus | Cholinesterase | IC50 | 11390.0 | nM | 10.1016/j.bmc.2012.09.040 |
| Equus caballus | Cholinesterase | Inhibition | 65.72 | % | 10.1016/j.bmc.2012.09.040 |
| Homo sapiens | Butyrylcholinesterase | IC50 | 20000.0 | nM | 10.1016/j.bmc.2012.09.040 |
| Homo sapiens | HL | Activity | 95.2 | % | 10.1021/acs.jnatprod.6b01052 |
| None | Unchecked | Potency | 12589.3 | nM | None |