1(3H)-Isobenzofuranone, 7-hydroxy-5-methoxy-
| Internal ID | 17505023-222a-4957-8cfd-9534b976c51c |
| Taxonomy | Organoheterocyclic compounds > Isocoumarans > Isobenzofuranones > Phthalides |
| IUPAC Name | 7-hydroxy-5-methoxy-3H-2-benzofuran-1-one |
| SMILES (Canonical) | COC1=CC2=C(C(=C1)O)C(=O)OC2 |
| SMILES (Isomeric) | COC1=CC2=C(C(=C1)O)C(=O)OC2 |
| InChI | InChI=1S/C9H8O4/c1-12-6-2-5-4-13-9(11)8(5)7(10)3-6/h2-3,10H,4H2,1H3 |
| InChI Key | DQVAVEZQPWBKEW-UHFFFAOYSA-N |
| Popularity | 18 references in papers |
| Molecular Formula | C9H8O4 |
| Molecular Weight | 180.16 g/mol |
| Exact Mass | 180.04225873 g/mol |
| Topological Polar Surface Area (TPSA) | 55.80 Ų |
| XlogP | 1.50 |
| 1(3H)-Isobenzofuranone, 7-hydroxy-5-methoxy- |
| 7-hydroxy-5-methoxy-3H-2-benzofuran-1-one |
| MLS000704668 |
| SMR000231833 |
| 7-Hydroxy-5-methoxyisobenzofuran-1(3H)-one |
| 7-hydroxy-5-methoxy-2-benzofuran-1(3H)-one |
| 5-Methoxy-7-hydroxyphthalid |
| 5-Methoxy-7-hydroxyphthalide |
| 7-hydroxy-5-methoxy-phthalide |
| CHEMBL507369 |
| There are more than 10 synonyms. If you wish to see them all click here. |
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| No predicted properties yet! | |||
Proven Targets:
| CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
|---|---|---|---|---|---|
| CHEMBL1293226 | B2RXH2 | Lysine-specific demethylase 4D-like |
35481.3 nM |
Potency |
via CMAUP
|
| CHEMBL2608 | P10253 | Lysosomal alpha-glucosidase |
11220.2 nM 11220.2 nM |
Potency Potency |
PMID: 22934671
PMID: 20192247 |
| CHEMBL1293232 | Q16637 | Survival motor neuron protein |
7079.5 nM |
Potency |
PMID: 17698631
|
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.09% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 96.56% | 95.56% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 93.54% | 85.14% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.19% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.77% | 94.45% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 88.62% | 94.00% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 88.22% | 99.15% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 87.37% | 96.09% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 87.24% | 93.40% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.10% | 99.23% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.01% | 86.33% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 86.72% | 94.73% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 84.83% | 90.00% |
| CHEMBL2002 | P12268 | Inosine-5'-monophosphate dehydrogenase 2 | 83.22% | 98.21% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.92% | 89.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 82.39% | 98.75% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 81.95% | 91.49% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 81.21% | 93.99% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 80.66% | 91.07% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
To see more specific details click the taxa you are interested in.
To see more specific details click the taxa you are interested in.
| Helichrysum arenarium |
| Helichrysum italicum |
| Helichrysum plicatum subsp. polyphyllum |
| Myrsine africana |
| Rhamnus wightii |
| PubChem | 181107 |
| NPASS | NPC90411 |
| ChEMBL | CHEMBL507369 |
| LOTUS | LTS0022742 |
| wikiData | Q83050195 |