Ricinine
AlkaPlorer ID: AK008909
Synonym: 1,2-Dihydro-4-methoxy-1-methyl-2-oxo-3-pyridinecarbonitrile, 4-Methoxy-2-oxo-1-methyl-1,2-dihydronicotinonitrile, 3-Cyano-4-methoxy-1-methyl-2-pyridone, Recinine
IUPAC Name: 4-methoxy-1-methyl-2-oxopyridine-3-carbonitrile
Structure
SMILES: COC1=C(C#N)C(=O)N(C)C=C1
InChI: InChI=1S/C8H8N2O2/c1-10-4-3-7(12-2)6(5-9)8(10)11/h3-4H,1-2H3
InChIKey: PETSAYFQSGAEQY-UHFFFAOYSA-N
Reference
Suscetibilidade de operárias e larvas de abelhas sociais em relação à ricinina
PubChem CID: 10666
CAS: 524-40-3
LOTUS: LTS0115465
SuperNatural Ⅲ: SN0283440
NPASS: NPC78625
COCONUT: CNP0318450
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 164.16400000000002
TPSA？: 55.02
MolLogP？: 0.2655799999999999
Number of H-Donors: 0
Number of H-Acceptors: 4
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Bacillus anthracis | Anthrax lethal factor | Potency | 12589.3 | nM | None |
| Homo sapiens | Casein kinase I alpha | Inhibition | nan | % | 10.1016/j.bmc.2014.07.027 |
| Homo sapiens | Chromobox protein homolog 1 | Potency | 3162.3 | nM | None |
| Homo sapiens | Cytochrome P450 1A2 | AC50 | nan | None | None |
| Homo sapiens | Cytochrome P450 2C19 | AC50 | nan | None | None |
| Homo sapiens | Cytochrome P450 2C9 | AC50 | nan | None | None |
| Homo sapiens | Cytochrome P450 2C9 | Potency | 12589.3 | nM | None |
| Homo sapiens | Cytochrome P450 2D6 | AC50 | nan | None | None |
| Homo sapiens | Cytochrome P450 3A4 | AC50 | nan | None | None |
| Homo sapiens | DNA polymerase iota | Potency | 79432.8 | nM | None |
| Homo sapiens | Geminin | Potency | 5.2 | nM | None |
| Homo sapiens | HEK293 | Activity | nan | None | 10.1016/j.bmc.2014.07.027 |
| Homo sapiens | Microtubule-associated protein tau | Potency | 25118.9 | nM | None |
| Homo sapiens | Prelamin-A/C | Potency | 1778.3 | nM | None |
| Homo sapiens | Tyrosyl-DNA phosphodiesterase 1 | Potency | 18837.5 | nM | None |
| Homo sapiens | Tyrosyl-DNA phosphodiesterase 1 | Potency | 21136.0 | nM | None |
| Plasmodium falciparum | Plasmodium falciparum | Potency | 4653.5 | nM | None |
| Plasmodium falciparum | Plasmodium falciparum | Potency | 11689.1 | nM | None |
| Rattus norvegicus | Rattus norvegicus | ED | 6.0 | mg kg-1 | 10.1016/0960-894X(95)00096-C |
| Severe acute respiratory syndrome coronavirus 2 | SARS-CoV-2 | IC50 | 19952.62 | nM | 10.6019/CHEMBL4651402 |
| Severe acute respiratory syndrome coronavirus 2 | SARS-CoV-2 | IC50 | 20000.0 | nM | 10.6019/CHEMBL4651402 |
| None | ADMET | LD50 | 80.0 | mg.kg-1 | 10.1016/0960-894X(95)00096-C |
| None | Molecular identity unknown | Activity | nan | None | 10.1016/j.bmc.2014.07.027 |
| None | Unchecked | Activity | nan | None | 10.1016/j.bmc.2014.07.027 |