(4-Hydroxy-15-methyl-13-oxo-9,14,16-trioxatetracyclo[8.6.0.03,8.011,15]hexadeca-3,5,7-trien-6-yl) acetate
| Internal ID | dde7dfb3-d03e-4984-a4e4-bfe70b6f8289 |
| Taxonomy | Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans |
| IUPAC Name | (4-hydroxy-15-methyl-13-oxo-9,14,16-trioxatetracyclo[8.6.0.03,8.011,15]hexadeca-3,5,7-trien-6-yl) acetate |
| SMILES (Canonical) | CC(=O)OC1=CC(=C2CC3C(C4CC(=O)OC4(O3)C)OC2=C1)O |
| SMILES (Isomeric) | CC(=O)OC1=CC(=C2CC3C(C4CC(=O)OC4(O3)C)OC2=C1)O |
| InChI | InChI=1S/C16H16O7/c1-7(17)20-8-3-11(18)9-5-13-15(21-12(9)4-8)10-6-14(19)23-16(10,2)22-13/h3-4,10,13,15,18H,5-6H2,1-2H3 |
| InChI Key | MOPKFMSMKHXDKD-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C16H16O7 |
| Molecular Weight | 320.29 g/mol |
| Exact Mass | 320.08960285 g/mol |
| Topological Polar Surface Area (TPSA) | 91.30 Ų |
| XlogP | 1.30 |
| There are no found synonyms. |
![2D Structure of (4-Hydroxy-15-methyl-13-oxo-9,14,16-trioxatetracyclo[8.6.0.03,8.011,15]hexadeca-3,5,7-trien-6-yl) acetate](https://plantaedb.com/storage/docs/compounds/2023/11/ac8d1060-877d-11ee-b13d-bd97a656b8b0.jpg "2D Structure of (4-Hydroxy-15-methyl-13-oxo-9,14,16-trioxatetracyclo[8.6.0.03,8.011,15]hexadeca-3,5,7-trien-6-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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.58% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.87% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.98% | 94.45% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 91.76% | 85.14% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 90.28% | 94.80% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.85% | 89.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.26% | 95.56% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 88.21% | 99.23% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 88.07% | 93.40% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 88.07% | 99.15% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.70% | 86.33% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 85.60% | 91.19% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 85.32% | 90.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 83.86% | 98.95% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 83.86% | 94.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.17% | 97.09% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 82.34% | 92.94% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 81.75% | 91.07% |
| CHEMBL215 | P09917 | Arachidonate 5-lipoxygenase | 81.71% | 92.68% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 80.06% | 95.71% |
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.
| Actinidia chinensis |
| PubChem | 163049883 |
| LOTUS | LTS0117390 |
| wikiData | Q105169053 |