2-Hydroxy-6,7-dimethoxybenzoxazole
Internal ID | 43e61a12-5210-4f8b-abed-95dda34a7581 |
Taxonomy | Organoheterocyclic compounds > Benzoxazoles > Benzoxazolones |
IUPAC Name | 6,7-dimethoxy-3H-1,3-benzoxazol-2-one |
SMILES (Canonical) | COC1=C(C2=C(C=C1)NC(=O)O2)OC |
SMILES (Isomeric) | COC1=C(C2=C(C=C1)NC(=O)O2)OC |
InChI | InChI=1S/C9H9NO4/c1-12-6-4-3-5-7(8(6)13-2)14-9(11)10-5/h3-4H,1-2H3,(H,10,11) |
InChI Key | FODHHOASVRMOPW-UHFFFAOYSA-N |
Popularity | 16 references in papers |
Molecular Formula | C9H9NO4 |
Molecular Weight | 195.17 g/mol |
Exact Mass | 195.05315777 g/mol |
Topological Polar Surface Area (TPSA) | 56.80 Ų |
XlogP | 1.10 |
6,7-dimethoxybenzo[d]oxazol-2(3H)-one |
29550-09-2 |
6,7-dimethoxy-3H-1,3-benzoxazol-2-one |
2(3H)-Benzoxazolone, 6,7-dimethoxy- |
SCHEMBL913059 |
6,7-dimethoxy-2-benzoxazolinone |
CHEBI:179372 |
6,7-dimethoxy-2,3-dihydro-1,3-benzoxazol-2-one |
Target | Value | Probability (raw) | Probability (%) |
---|---|---|---|
No predicted properties yet! |
Proven Targets:
CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
---|---|---|---|---|---|
No proven targets yet! |
Predicted Targets (via Super-PRED):
CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
---|---|---|---|---|
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.95% | 94.45% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.46% | 95.56% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 91.45% | 94.00% |
CHEMBL1255126 | O15151 | Protein Mdm4 | 87.59% | 90.20% |
CHEMBL2535 | P11166 | Glucose transporter | 86.70% | 98.75% |
CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 84.17% | 93.99% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 84.10% | 91.11% |
CHEMBL2581 | P07339 | Cathepsin D | 83.65% | 98.95% |
CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 80.62% | 99.23% |
PubChem | 10987158 |
LOTUS | LTS0102483 |
wikiData | Q104998712 |