(4-Ormyl-5,13,17-trihydroxy-7-methyl-9,15-dioxo-2,10,16-trioxatetracyclo[9.7.0.03,8.014,18]octadeca-1(11),3(8),4,6,12,14(18)-hexaen-12-yl)methyl acetate
| Internal ID | c2f2c600-ea1c-4c9e-9ff3-7c86ee309111 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Ethers > Diarylethers |
| IUPAC Name | [(17S)-4-formyl-5,13,17-trihydroxy-7-methyl-9,15-dioxo-2,10,16-trioxatetracyclo[9.7.0.03,8.014,18]octadeca-1(11),3(8),4,6,12,14(18)-hexaen-12-yl]methyl acetate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C20H14O11/c1-6-3-10(23)8(4-21)15-11(6)18(25)30-16-9(5-28-7(2)22)14(24)12-13(17(16)29-15)20(27)31-19(12)26/h3-4,20,23-24,27H,5H2,1-2H3/t20-/m0/s1 |
| InChI Key | IHMXDYQQUZKOON-FQEVSTJZSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C20H14O11 |
| Molecular Weight | 430.30 g/mol |
| Exact Mass | 430.05361126 g/mol |
| Topological Polar Surface Area (TPSA) | 166.00 Ų |
| XlogP | 1.70 |
| There are no found synonyms. |
![2D Structure of (4-Ormyl-5,13,17-trihydroxy-7-methyl-9,15-dioxo-2,10,16-trioxatetracyclo[9.7.0.03,8.014,18]octadeca-1(11),3(8),4,6,12,14(18)-hexaen-12-yl)methyl acetate](https://plantaedb.com/storage/docs/compounds/2023/11/8f262580-85e0-11ee-9516-f710fc278bed.jpg "2D Structure of (4-Ormyl-5,13,17-trihydroxy-7-methyl-9,15-dioxo-2,10,16-trioxatetracyclo[9.7.0.03,8.014,18]octadeca-1(11),3(8),4,6,12,14(18)-hexaen-12-yl)methyl 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 | 97.60% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 96.92% | 95.56% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 94.71% | 91.49% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.54% | 98.95% |
| CHEMBL1163101 | O75460 | Serine/threonine-protein kinase/endoribonuclease IRE1 | 94.54% | 98.11% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 93.78% | 94.73% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 93.57% | 89.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.69% | 94.45% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 86.52% | 99.17% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 85.69% | 99.15% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.61% | 86.33% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 83.49% | 94.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 82.00% | 99.23% |
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.
| Cardamine diphylla |
| PubChem | 162918925 |
| LOTUS | LTS0214845 |
| wikiData | Q105213602 |