(4-Acetyloxy-6,7-dihydroxy-6',7-dimethyl-8-oxospiro[1,4,5,6-tetrahydroisochromene-3,2'-oxane]-3'-yl) acetate
| Internal ID | 916189f4-4ad4-463b-8b1f-066ad2d3f61e |
| Taxonomy | Organoheterocyclic compounds > Azaphilones |
| IUPAC Name | (4-acetyloxy-6,7-dihydroxy-6',7-dimethyl-8-oxospiro[1,4,5,6-tetrahydroisochromene-3,2'-oxane]-3'-yl) acetate |
| SMILES (Canonical) | CC1CCC(C2(O1)C(C3=C(CO2)C(=O)C(C(C3)O)(C)O)OC(=O)C)OC(=O)C |
| SMILES (Isomeric) | CC1CCC(C2(O1)C(C3=C(CO2)C(=O)C(C(C3)O)(C)O)OC(=O)C)OC(=O)C |
| InChI | InChI=1S/C19H26O9/c1-9-5-6-15(26-10(2)20)19(28-9)17(27-11(3)21)12-7-14(22)18(4,24)16(23)13(12)8-25-19/h9,14-15,17,22,24H,5-8H2,1-4H3 |
| InChI Key | MPVZXVXIZMIJFZ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C19H26O9 |
| Molecular Weight | 398.40 g/mol |
| Exact Mass | 398.15768240 g/mol |
| Topological Polar Surface Area (TPSA) | 129.00 Ų |
| XlogP | -1.00 |
| There are no found synonyms. |
![2D Structure of (4-Acetyloxy-6,7-dihydroxy-6',7-dimethyl-8-oxospiro[1,4,5,6-tetrahydroisochromene-3,2'-oxane]-3'-yl) acetate](https://plantaedb.com/storage/docs/compounds/2023/11/648c0660-8453-11ee-b250-35f3bfd0ae02.jpg "2D Structure of (4-Acetyloxy-6,7-dihydroxy-6',7-dimethyl-8-oxospiro[1,4,5,6-tetrahydroisochromene-3,2'-oxane]-3'-yl) acetate")
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.27% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.11% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 94.05% | 85.14% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.40% | 98.95% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.43% | 97.09% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 91.35% | 91.19% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 89.31% | 83.82% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.42% | 89.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.11% | 94.45% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 86.13% | 94.80% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 85.90% | 92.94% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 85.64% | 100.00% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 84.21% | 97.79% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.48% | 86.33% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 83.28% | 97.05% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.27% | 95.89% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 82.08% | 91.24% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 81.36% | 99.23% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 81.21% | 97.14% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 80.82% | 93.04% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 80.50% | 95.56% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 163063549 |
| LOTUS | LTS0202012 |
| wikiData | Q104171950 |