rhodanine
AlkaPlorer ID: AK279639
Synonym: None
IUPAC Name: 2-sulfanylidene-1,3-thiazolidin-4-one
Structure
SMILES: O=C1CSC(=S)N1
InChI: InChI=1S/C3H3NOS2/c5-2-1-7-3(6)4-2/h1H2,(H,4,5,6)
InChIKey: KIWUVOGUEXMXSV-UHFFFAOYSA-N
Reference
Diterpenoids from <i>Croton laui</i> and Their Cytotoxic and Antimicrobial Activities
PubChem CID: 1201546
CAS: 141-84-4
SuperNatural Ⅲ: SN0186868
COCONUT: CNP0208403
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 133.197
TPSA？: 29.1
MolLogP？: 0.1343
Number of H-Donors: 1
Number of H-Acceptors: 3
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Aspergillus niger | Aspergillus niger | MIC | 800.0 | ug.mL-1 | 10.1271/bbb.62.1025 |
| Bacillus subtilis | 4'-phosphopantetheinyl transferase ffp | Potency | 79432.8 | nM | None |
| Bos taurus | Thrombin | Inhibition | nan | % | 10.1021/jm201243p |
| Brassica rapa subsp. oleifera | Brassica rapa subsp. oleifera | Activity | 1.44 | % | 10.1271/bbb.60.1368 |
| Brassica rapa subsp. oleifera | Brassica rapa subsp. oleifera | Activity | 2.09 | % | 10.1271/bbb.60.1368 |
| Brassica rapa subsp. oleifera | Brassica rapa subsp. oleifera | Activity | 2.41 | % | 10.1271/bbb.60.1368 |
| Brassica rapa subsp. oleifera | Brassica rapa subsp. oleifera | Activity | 3.52 | % | 10.1271/bbb.60.1368 |
| Brassica rapa subsp. oleifera | Brassica rapa subsp. oleifera | Activity | 4.8 | % | 10.1271/bbb.60.1368 |
| Brassica rapa subsp. oleifera | Brassica rapa subsp. oleifera | Activity | 5.08 | % | 10.1271/bbb.60.1368 |
| Brassica rapa subsp. oleifera | Brassica rapa subsp. oleifera | Activity | 6.76 | % | 10.1271/bbb.60.1368 |
| Brassica rapa subsp. oleifera | Brassica rapa subsp. oleifera | Activity | 9.16 | % | 10.1271/bbb.60.1368 |
| Brassica rapa subsp. oleifera | Brassica rapa subsp. oleifera | Activity | 11.3 | mm | 10.1271/bbb.60.1368 |
| Brassica rapa subsp. oleifera | Brassica rapa subsp. oleifera | Activity | 14.1 | % | 10.1271/bbb.60.1368 |
| Brassica rapa subsp. oleifera | Brassica rapa subsp. oleifera | Activity | 19.17 | % | 10.1271/bbb.60.1368 |
| Brassica rapa subsp. oleifera | Brassica rapa subsp. oleifera | Activity | 19.19 | % | 10.1271/bbb.60.1368 |
| Brassica rapa subsp. oleifera | Brassica rapa subsp. oleifera | Activity | 38.7 | mm | 10.1271/bbb.60.1368 |
| Brassica rapa subsp. oleifera | Brassica rapa subsp. oleifera | Activity | 42.5 | mm | 10.1271/bbb.60.1368 |
| Brassica rapa subsp. oleifera | Brassica rapa subsp. oleifera | Activity | 46.0 | mm | 10.1271/bbb.60.1368 |
| Candida albicans | Candida albicans | MIC | 800.0 | ug.mL-1 | 10.1271/bbb.62.1025 |
| Culex pipiens pallens | Culex pipiens pallens | Activity | 0.0 | % | 10.1271/bbb.62.1025 |
| Escherichia coli K-12 | Beta-lactamase AmpC | Potency | 44668.4 | nM | None |
| Fusarium oxysporum | Fusarium oxysporum | MIC | 800.0 | ug.mL-1 | 10.1271/bbb.62.1025 |
| Giardia intestinalis | Putative fructose-1,6-bisphosphate aldolase | Potency | 7943.3 | nM | None |
| Homo sapiens | 786-0 | GI50 | 100000.0 | nM | None |
| Homo sapiens | A549 | GI50 | 100000.0 | nM | None |
| Homo sapiens | ACHN | GI50 | 100000.0 | nM | None |
| Homo sapiens | CAKI-1 | GI50 | 100000.0 | nM | None |
| Homo sapiens | CCRF-CEM | GI50 | 100000.0 | nM | None |
| Homo sapiens | COLO 205 | GI50 | 100000.0 | nM | None |
| Homo sapiens | DU-145 | GI50 | 100000.0 | nM | None |
| Homo sapiens | EKVX | GI50 | 100000.0 | nM | None |
| Homo sapiens | Geminin | Potency | 2592.9 | nM | None |
| Homo sapiens | Glycogen synthase kinase-3 | IC50 | 100000.0 | nM | 10.1021/jm040895g |
| Homo sapiens | Guanine nucleotide-binding protein G(s), subunit alpha | Potency | 2818.4 | nM | None |
| Homo sapiens | HCC 2998 | GI50 | 100000.0 | nM | None |
| Homo sapiens | HCT-116 | GI50 | 100000.0 | nM | None |
| Homo sapiens | HCT-15 | GI50 | 100000.0 | nM | None |
| Homo sapiens | HL-60 | GI50 | 100000.0 | nM | None |
| Homo sapiens | HOP-62 | GI50 | 100000.0 | nM | None |
| Homo sapiens | HOP-92 | GI50 | 100000.0 | nM | None |
| Homo sapiens | Hs-578T | GI50 | 100000.0 | nM | None |
| Homo sapiens | IGROV-1 | GI50 | 100000.0 | nM | None |
| Homo sapiens | K562 | GI50 | 100000.0 | nM | None |
| Homo sapiens | KM12 | GI50 | 100000.0 | nM | None |
| Homo sapiens | LOX IMVI | GI50 | 100000.0 | nM | None |
| Homo sapiens | M14 | GI50 | 100000.0 | nM | None |
| Homo sapiens | Malme-3M | GI50 | 100000.0 | nM | None |
| Homo sapiens | MCF7 | GI50 | 100000.0 | nM | None |
| Homo sapiens | MDA-MB-231 | GI50 | 100000.0 | nM | None |
| Homo sapiens | MDA-N | GI50 | 100000.0 | nM | None |
| Homo sapiens | MOLT-4 | GI50 | 100000.0 | nM | None |
| Homo sapiens | Mothers against decapentaplegic homolog 3 | Potency | 5623.4 | nM | None |
| Homo sapiens | NCI/ADR-RES | GI50 | 100000.0 | nM | None |
| Homo sapiens | NCI-H226 | GI50 | 100000.0 | nM | None |
| Homo sapiens | NCI-H23 | GI50 | 100000.0 | nM | None |
| Homo sapiens | NCI-H322M | GI50 | 100000.0 | nM | None |
| Homo sapiens | NCI-H460 | GI50 | 100000.0 | nM | None |
| Homo sapiens | NCI-H522 | GI50 | 100000.0 | nM | None |
| Homo sapiens | OVCAR-3 | GI50 | 100000.0 | nM | None |
| Homo sapiens | OVCAR-5 | GI50 | 100000.0 | nM | None |
| Homo sapiens | OVCAR-8 | GI50 | 100000.0 | nM | None |
| Homo sapiens | PC-3 | GI50 | 100000.0 | nM | None |
| Homo sapiens | RPMI-8226 | GI50 | 100000.0 | nM | None |
| Homo sapiens | SF-268 | GI50 | 100000.0 | nM | None |
| Homo sapiens | SF-295 | GI50 | 100000.0 | nM | None |
| Homo sapiens | SF-539 | GI50 | 100000.0 | nM | None |
| Homo sapiens | SK-MEL-2 | GI50 | 100000.0 | nM | None |
| Homo sapiens | SK-MEL-28 | GI50 | 100000.0 | nM | None |
| Homo sapiens | SK-MEL-5 | GI50 | 100000.0 | nM | None |
| Homo sapiens | SN12C | GI50 | 100000.0 | nM | None |
| Homo sapiens | SNB-19 | GI50 | 100000.0 | nM | None |
| Homo sapiens | SNB-75 | GI50 | 100000.0 | nM | None |
| Homo sapiens | SR | GI50 | 100000.0 | nM | None |
| Homo sapiens | SW-620 | GI50 | 100000.0 | nM | None |
| Homo sapiens | T47D | GI50 | 100000.0 | nM | None |
| Homo sapiens | TK-10 | GI50 | 100000.0 | nM | None |
| Homo sapiens | U-251 | GI50 | 100000.0 | nM | None |
| Homo sapiens | UACC-257 | GI50 | 100000.0 | nM | None |
| Homo sapiens | UO-31 | GI50 | 100000.0 | nM | None |
| Musca domestica | Musca domestica | Activity | 0.0 | % | 10.1271/bbb.62.1025 |
| Mus musculus | Mus musculus | LD50 | 311.03 | mg.kg-1 | 10.1271/bbb.60.1368 |
| Mus musculus | Mus musculus | mortality | 0.0 | % | 10.1271/bbb.60.1368 |
| Mus musculus | Mus musculus | mortality | 20.0 | % | 10.1271/bbb.60.1368 |
| Mus musculus | Mus musculus | mortality | 40.0 | % | 10.1271/bbb.60.1368 |
| Mus musculus | Mus musculus | mortality | 80.0 | % | 10.1271/bbb.60.1368 |
| Mus musculus | Mus musculus | mortality | 100.0 | % | 10.1271/bbb.60.1368 |
| Penicillium expansum | Penicillium expansum | MIC | 1000.0 | ug.mL-1 | 10.1271/bbb.62.1025 |
| Plasmodium falciparum | Plasmodium falciparum | Potency | 4147.5 | nM | None |
| Plasmodium falciparum | Plasmodium falciparum | Potency | 18526.0 | nM | None |
| Trichophyton mentagrophytes | Trichophyton mentagrophytes | MIC | 200.0 | ug.mL-1 | 10.1271/bbb.62.1025 |
| Wickerhamomyces anomalus | Wickerhamomyces anomalus | MIC | 400.0 | ug.mL-1 | 10.1271/bbb.62.1025 |
| None | Unchecked | Inhibition | 14.0 | % | 10.1021/jm201243p |
| None | Unchecked | Inhibition | nan | % | 10.1021/jm201243p |