Peganine
AlkaPlorer ID: AK009971
Synonym: 'Peganine', 'Peganine; (S)-form', 'Peganine hydrochloride', '(-)-Vasicine', '(-)-Peganine', 'Linarine hydrochloride', 'Vasicine', '(-)-Linarine'
IUPAC Name: (3R)-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-3-ol
Structure
SMILES: O[C@@H]1CCN2CC3=CC=CC=C3N=C12
InChI: InChI=1S/C11H12N2O/c14-10-5-6-13-7-8-3-1-2-4-9(8)12-11(10)13/h1-4,10,14H,5-7H2/t10-/m1/s1
InChIKey: YIICVSCAKJMMDJ-SNVBAGLBSA-N
Reference
Antimicrobial Agents From Higher Plants. Antimicrobial Agents From Peganum harmala Seeds
PubChem CID: 442929
LOTUS: LTS0003926
SuperNatural Ⅲ: SN0451223-02
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Peganum harmala | Peganum | Nitrariaceae | Sapindales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 188.23
TPSA？: 35.83
MolLogP？: 1.2968000000000002
Number of H-Donors: 1
Number of H-Acceptors: 3
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Bacillus subtilis | 4'-phosphopantetheinyl transferase ffp | Potency | 690.0 | nM | None |
| Bacillus subtilis | 4'-phosphopantetheinyl transferase ffp | Potency | 2097.0 | nM | None |
| Bacillus subtilis | 4'-phosphopantetheinyl transferase ffp | Potency | 2818.4 | nM | None |
| Equus caballus | Ferritin light chain | Potency | 35481.3 | nM | None |
| Homo sapiens | Histone acetyltransferase GCN5 | Potency | 5623.4 | nM | None |
| Homo sapiens | HL-60 | IC50 | nan | None | 10.1016/j.bmcl.2017.12.003 |
| Homo sapiens | PC-3 | IC50 | 15410.0 | nM | 10.1016/j.bmcl.2017.12.003 |
| Homo sapiens | SGC-7901 | IC50 | nan | None | 10.1016/j.bmcl.2017.12.003 |
| Homo sapiens | Vitamin D receptor | Potency | 3548.1 | nM | None |