N-[(E)-[(3-hydroxy-4-methoxyphenyl)methylidene]amino]carbamimidothioic acid
AlkaPlorer ID: AK318813
Synonym: None
IUPAC Name: [(Z)-(3-hydroxy-4-methoxyphenyl)methylideneamino]thiourea
Structure
SMILES: COC1=CC=C(/C=N/NC(=N)S)C=C1O
InChI: InChI=1S/C9H11N3O2S/c1-14-8-3-2-6(4-7(8)13)5-11-12-9(10)15/h2-5,13H,1H3,(H3,10,12,15)/b11-5+
InChIKey: ARINKVDYBABITQ-VZUCSPMQSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Rosa chinensis | Rosa | Rosaceae | Rosales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Lonicera japonica | Lonicera | Caprifoliaceae | Dipsacales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Lavandula pedunculata | Lavandula | Lamiaceae | Lamiales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 225.273
TPSA？: 77.7
MolLogP？: 1.1888699999999996
Number of H-Donors: 4
Number of H-Acceptors: 4
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Agaricus bisporus | Tyrosinase | IC50 | 4880.0 | nM | 10.1039/C9MD00005D |
| Bothrops pauloensis | Snake venom metalloproteinase neuwiedase | IC50 | 3410000.0 | nM | 10.1021/acsmedchemlett.7b00186 |
| Homo sapiens | Bel-7402 | Inhibition | 10.5 | % | 10.1021/acs.jmedchem.8b01946 |
| Homo sapiens | Caco-2 | Inhibition | 11.9 | % | 10.1021/acs.jmedchem.8b01946 |
| Homo sapiens | HepG2 | Inhibition | 47.6 | % | 10.1021/acs.jmedchem.8b01946 |
| Homo sapiens | L02 | Inhibition | 5.54 | % | 10.1021/acs.jmedchem.8b01946 |
| Homo sapiens | Poly [ADP-ribose] polymerase-1 | Inhibition | 28.1 | % | 10.1021/acs.jmedchem.8b01946 |
| Homo sapiens | SK-OV-3 | Inhibition | 0.0 | % | 10.1021/acs.jmedchem.8b01946 |
| Trypanosoma cruzi | Cruzipain | IC50 | 10000.0 | nM | 10.1021/jm010459j |
| None | Unchecked | IC50 | 260.0 | nM | 10.1016/j.bmc.2006.12.038 |
| None | Unchecked | IC50 | 3890451449942804.5 | nM | 10.1016/j.bmc.2006.12.038 |