1,3-benzothiazol-2-ol
AlkaPlorer ID: AK046501
Synonym: 'SMR000112468', '2-Hydroxybenzothiazole', 'MLS000737673', 'MLS000697050'
IUPAC Name: 3H-1,3-benzothiazol-2-one
Structure
SMILES: OC1=NC2=CC=CC=C2S1
InChI: InChI=1S/C7H5NOS/c9-7-8-5-3-1-2-4-6(5)10-7/h1-4H,(H,8,9)
InChIKey: YEDUAINPPJYDJZ-UHFFFAOYSA-N
Reference
Phytotoxic substances in root exudates of cucumber (Cucumis sativus L.)
PubChem CID: 13625
CAS: 1465-25-4
LOTUS: LTS0063626
COCONUT: CNP0172585
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Cucumis sativus | Cucumis | Cucurbitaceae | Cucurbitales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 151.18999999999997
TPSA？: 33.120000000000005
MolLogP？: 2.0019
Number of H-Donors: 1
Number of H-Acceptors: 3
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Escherichia coli K-12 | Beta-lactamase AmpC | Potency | 316.2 | nM | None |
| Homo sapiens | Glutaminyl-peptide cyclotransferase | IC50 | nan | None | 10.1021/acsmedchemlett.2c00256 |
| Homo sapiens | Guanine nucleotide-binding protein G(s), subunit alpha | Potency | 11220.2 | nM | None |
| Homo sapiens | Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 | Potency | 1778.3 | nM | None |
| Homo sapiens | Indoleamine 2,3-dioxygenase | Inhibition | 14.0 | % | 10.1016/j.bmc.2013.10.037 |
| Homo sapiens | Rap guanine nucleotide exchange factor 3 | Potency | 89125.1 | nM | None |
| Homo sapiens | Sentrin-specific protease 8 | IC50 | 100000.0 | nM | None |
| Mus musculus | Mus musculus | MES | nan | None | 10.1021/jm970682+ |
| Mus musculus | Mus musculus | Rotarod toxicity | nan | None | 10.1021/jm970682+ |
| Mus musculus | Mus musculus | scMet | nan | None | 10.1021/jm970682+ |
| None | Unchecked | IC50 | nan | None | 10.1128/aac.00392-07 |
| None | Unchecked | Potency | 16360.1 | nM | None |