Arauridine
AlkaPlorer ID: AK000456
Synonym: None
IUPAC Name: 1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
Structure
SMILES: O=C1C=CN([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)C(=O)N1
InChI: InChI=1S/C9H12N2O6/c12-3-4-6(14)7(15)8(17-4)11-2-1-5(13)10-9(11)16/h1-2,4,6-8,12,14-15H,3H2,(H,10,13,16)/t4-,6-,7+,8-/m1/s1
InChIKey: DRTQHJPVMGBUCF-CCXZUQQUSA-N
Reference
Bioactive Compounds from the Fern <i>Lepisorus contortus</i>
PubChem CID: 18323
CAS: 3083-77-0
LOTUS: LTS0097578
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Eunicella cavolini | Eunicella | Eunicellidae | Malacalcyonacea | Anthozoa | Cnidaria | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 244.20300000000003
TPSA？: 124.78
MolLogP？: -2.8519
Number of H-Donors: 4
Number of H-Acceptors: 7
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Coxsackievirus B4 | Coxsackievirus B4 | Inhibition | nan | % | 10.1016/j.bmc.2010.02.059 |
| Hepacivirus hominis | Hepatitis C virus | EC50 | 100000.0 | nM | 10.1016/j.bmcl.2022.128605 |
| Homo sapiens | CCRF-CEM | IC50 | 500000.0 | nM | 10.1016/j.bmc.2010.02.059 |
| Homo sapiens | Cyclooxygenase-2 | Inhibition | nan | % | 10.1021/np100373f |
| Homo sapiens | HL-60 | IC50 | 90000.0 | nM | 10.1016/j.bmc.2010.02.059 |
| Homo sapiens | KG-1 | IC50 | 25000.0 | nM | 10.1016/j.bmc.2010.02.059 |
| Homo sapiens | MCF7 | Activity | nan | None | 10.1021/np100373f |
| Homo sapiens | NB-4 | IC50 | 69000.0 | nM | 10.1016/j.bmc.2010.02.059 |
| Homo sapiens | U-937 | IC50 | 100000.0 | nM | 10.1016/j.bmc.2010.02.059 |
| Human alphaherpesvirus 1 | Human alphaherpesvirus 1 | ID50 | 4.1 | 10'-5M | 10.1021/jm00189a020 |
| Human alphaherpesvirus 1 | Human alphaherpesvirus 1 | Inhibition | nan | % | 10.1016/j.bmc.2010.02.059 |
| Human alphaherpesvirus 1 | Human alphaherpesvirus 1 | Inhibition | nan | % | 10.1021/jm00189a020 |
| Human alphaherpesvirus 1 | Human alphaherpesvirus 1 | MIC | 20.0 | ug.mL-1 | 10.1021/jm00192a008 |
| Human alphaherpesvirus 2 | Human alphaherpesvirus 2 | Inhibition | nan | % | 10.1016/j.bmc.2010.02.059 |
| Human alphaherpesvirus 2 | Human alphaherpesvirus 2 | MIC | 20.0 | ug.mL-1 | 10.1021/jm00192a008 |
| Human immunodeficiency virus 1 | Human immunodeficiency virus 1 | Inhibition | nan | % | 10.1016/j.bmc.2010.02.059 |
| Human immunodeficiency virus 2 | Human immunodeficiency virus 2 | Inhibition | nan | % | 10.1016/j.bmc.2010.02.059 |
| Human respirovirus 3 | Human respirovirus 3 | Inhibition | nan | % | 10.1016/j.bmc.2010.02.059 |
| Influenza A virus | Influenza A virus | Inhibition | nan | % | 10.1016/j.bmc.2010.02.059 |
| Mammalian orthoreovirus 1 | Mammalian orthoreovirus 1 | Inhibition | nan | % | 10.1016/j.bmc.2010.02.059 |
| Mus musculus | L1210 | IC50 | 170000.0 | nM | 10.1016/j.bmc.2010.02.059 |
| Mus musculus | RAW264.7 | Inhibition | nan | % | 10.1021/np100373f |
| Ovis aries | Cyclooxygenase-1 | Inhibition | nan | % | 10.1021/np100373f |
| Punta Toro virus | Punta Toro virus | Inhibition | nan | % | 10.1016/j.bmc.2010.02.059 |
| Respiratory syncytial virus | Respiratory syncytial virus | Inhibition | nan | % | 10.1016/j.bmc.2010.02.059 |
| 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 |
| Sindbis virus | Sindbis virus | Inhibition | nan | % | 10.1016/j.bmc.2010.02.059 |
| Vaccinia virus | Vaccinia virus | ID50 | 8.2 | 10'-4M | 10.1021/jm00189a020 |
| Vaccinia virus | Vaccinia virus | Inhibition | nan | % | 10.1016/j.bmc.2010.02.059 |
| Vaccinia virus | Vaccinia virus | Inhibition | nan | % | 10.1021/jm00189a020 |
| Vaccinia virus | Vaccinia virus | MIC | 200.0 | ug.mL-1 | 10.1021/jm00192a008 |
| Vesicular stomatitis virus | Vesicular stomatitis virus | ID50 | 1.0 | 10'-4M | 10.1021/jm00189a020 |
| Vesicular stomatitis virus | Vesicular stomatitis virus | Inhibition | nan | % | 10.1016/j.bmc.2010.02.059 |
| Vesicular stomatitis virus | Vesicular stomatitis virus | MIC | 200.0 | ug.mL-1 | 10.1021/jm00192a008 |
| None | ADMET | Activity | nan | None | 10.1021/jm00189a020 |
| None | ADMET | Activity | nan | None | 10.1021/np100373f |
| None | ADMET | MIC | 300.0 | ug.mL-1 | 10.1021/jm00192a008 |
| None | ADMET | MIC | 400.0 | ug.mL-1 | 10.1021/jm00192a008 |
| None | Unchecked | Ki | 250000.0 | nM | 10.1021/jm00196a025 |