Securinine
AlkaPlorer ID: AK001918
Synonym: '', 'MLS006011461', 'MLSMR', 'SMR000542846', 'Securinine'
IUPAC Name: (2R,8S)-14-oxa-7-azatetracyclo[6.6.1.01,11.02,7]pentadeca-9,11-dien-13-one
Structure
SMILES: O=C1C=C2C=C[C@@H]3CC2(O1)[C@H]1CCCCN31
InChI: InChI=1S/C13H15NO2/c15-12-7-9-4-5-10-8-13(9,16-12)11-3-1-2-6-14(10)11/h4-5,7,10-11H,1-3,6,8H2/t10-,11-,13?/m1/s1
InChIKey: SWZMSZQQJRKFBP-KKPNGEORSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Securinega suffruticosa | Securinega | Phyllanthaceae | Malpighiales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Catharanthus roseus | Catharanthus | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 217.268
TPSA？: 29.54
MolLogP？: 1.405
Number of H-Donors: 0
Number of H-Acceptors: 3
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Escherichia coli K-12 | Beta-lactamase AmpC | Potency | 5623.4 | nM | None |
| Homo sapiens | Ataxin-2 | Potency | 19952.6 | nM | None |
| Homo sapiens | ATPase family AAA domain-containing protein 5 | Potency | 3661.1 | nM | None |
| Homo sapiens | ATPase family AAA domain-containing protein 5 | Potency | 35481.3 | nM | None |
| Homo sapiens | DNA dC->dU-editing enzyme APOBEC-3G | Potency | 35481.3 | nM | None |
| Homo sapiens | Geminin | Potency | 501.2 | nM | None |
| Homo sapiens | Glutaminase kidney isoform, mitochondrial | Potency | 8912.5 | nM | None |
| Homo sapiens | Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 | Potency | 8912.5 | nM | None |
| Homo sapiens | Mothers against decapentaplegic homolog 3 | Potency | 6309.6 | nM | None |
| Homo sapiens | Nuclear factor erythroid 2-related factor 2 | Potency | 580.5 | nM | None |
| Homo sapiens | Nuclear factor erythroid 2-related factor 2 | Potency | 17782.8 | nM | None |
| Homo sapiens | Tyrosyl-DNA phosphodiesterase 1 | Potency | 18356.4 | nM | None |
| Homo sapiens | Tyrosyl-DNA phosphodiesterase 1 | Potency | 29092.9 | nM | None |
| Plasmodium falciparum | Plasmodium falciparum | Potency | 11689.1 | nM | None |
| Schistosoma mansoni | Thioredoxin glutathione reductase | Potency | 50118.7 | nM | None |
| None | Unchecked | CC50 | 39402.0 | nM | None |
| None | Unchecked | IC90 | 100000.0 | nM | None |
| None | Unchecked | Potency | 5011.9 | nM | None |
| None | Unchecked | Potency | 11220.2 | nM | None |
| None | Unchecked | Potency | 14581.0 | nM | None |
| None | Unchecked | Potency | 25118.9 | nM | None |
| None | Unchecked | Potency | 39810.7 | nM | None |