6,7-dihydroxy-3-(2-hydroxy-4-methoxyphenyl)-5-(hydroxymethyl)-5,6,7,7a-tetrahydro-3aH-pyrano[2,3-d][1,3]oxazol-2-one
| Internal ID | d50784ad-563e-4bdc-a6b2-d6ab75ceb19b |
| Taxonomy | Benzenoids > Phenols > Methoxyphenols |
| IUPAC Name | 6,7-dihydroxy-3-(2-hydroxy-4-methoxyphenyl)-5-(hydroxymethyl)-5,6,7,7a-tetrahydro-3aH-pyrano[2,3-d][1,3]oxazol-2-one |
| SMILES (Canonical) | COC1=CC(=C(C=C1)N2C3C(C(C(C(O3)CO)O)O)OC2=O)O |
| SMILES (Isomeric) | COC1=CC(=C(C=C1)N2C3C(C(C(C(O3)CO)O)O)OC2=O)O |
| InChI | InChI=1S/C14H17NO8/c1-21-6-2-3-7(8(17)4-6)15-13-12(23-14(15)20)11(19)10(18)9(5-16)22-13/h2-4,9-13,16-19H,5H2,1H3 |
| InChI Key | VFHXJBGPZUFKGZ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C14H17NO8 |
| Molecular Weight | 327.29 g/mol |
| Exact Mass | 327.09541650 g/mol |
| Topological Polar Surface Area (TPSA) | 129.00 Ų |
| XlogP | -0.40 |
| There are no found synonyms. |
![2D Structure of 6,7-dihydroxy-3-(2-hydroxy-4-methoxyphenyl)-5-(hydroxymethyl)-5,6,7,7a-tetrahydro-3aH-pyrano[2,3-d][1,3]oxazol-2-one](https://plantaedb.com/storage/docs/compounds/2023/11/eeb3ff50-855c-11ee-8f5a-d9f135b7cb77.jpg "2D Structure of 6,7-dihydroxy-3-(2-hydroxy-4-methoxyphenyl)-5-(hydroxymethyl)-5,6,7,7a-tetrahydro-3aH-pyrano[2,3-d][1,3]oxazol-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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.32% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.55% | 96.09% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 95.92% | 86.92% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.61% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.14% | 95.56% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 90.87% | 94.00% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 89.92% | 99.15% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 87.73% | 83.82% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 87.69% | 99.17% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 87.47% | 90.00% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 86.62% | 95.93% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.48% | 86.33% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.98% | 89.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 82.66% | 94.73% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 82.58% | 97.09% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 82.28% | 95.89% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 81.41% | 94.45% |
| PubChem | 73038187 |
| LOTUS | LTS0077839 |
| wikiData | Q105285296 |