2-[4-[10-[5-[Carboxy-(4-hydroxyphenyl)methylidene]-4-hydroxy-2-oxofuran-3-yl]-12-hydroxy-3,4-dioxo-2-oxatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaen-7-yl]-3-hydroxy-5-oxofuran-2-ylidene]-2-(4-hydroxyphenyl)acetic acid
| Internal ID | 9514ccf9-7349-4d28-b142-43aafd3f1e9d |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Pentacarboxylic acids and derivatives |
| IUPAC Name | 2-[4-[10-[5-[carboxy-(4-hydroxyphenyl)methylidene]-4-hydroxy-2-oxofuran-3-yl]-12-hydroxy-3,4-dioxo-2-oxatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaen-7-yl]-3-hydroxy-5-oxofuran-2-ylidene]-2-(4-hydroxyphenyl)acetic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C36H18O16/c37-15-5-1-12(2-6-15)22(32(43)44)30-27(41)21(34(47)51-30)14-9-17-18(11-20(39)29-24(17)19(10-14)26(40)36(49)50-29)25-28(42)31(52-35(25)48)23(33(45)46)13-3-7-16(38)8-4-13/h1-11,37-39,41-42H,(H,43,44)(H,45,46) |
| InChI Key | DRKMVSXBACRYHE-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C36H18O16 |
| Molecular Weight | 706.50 g/mol |
| Exact Mass | 706.05948448 g/mol |
| Topological Polar Surface Area (TPSA) | 272.00 Ų |
| XlogP | 3.00 |
| There are no found synonyms. |
![2D Structure of 2-[4-[10-[5-[Carboxy-(4-hydroxyphenyl)methylidene]-4-hydroxy-2-oxofuran-3-yl]-12-hydroxy-3,4-dioxo-2-oxatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaen-7-yl]-3-hydroxy-5-oxofuran-2-ylidene]-2-(4-hydroxyphenyl)acetic acid](https://plantaedb.com/storage/docs/compounds/2023/11/dd41dba0-8636-11ee-a5f7-937803432c0a.jpg "2D Structure of 2-[4-[10-[5-[Carboxy-(4-hydroxyphenyl)methylidene]-4-hydroxy-2-oxofuran-3-yl]-12-hydroxy-3,4-dioxo-2-oxatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaen-7-yl]-3-hydroxy-5-oxofuran-2-ylidene]-2-(4-hydroxyphenyl)acetic acid")
| 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 |
|---|---|---|---|---|
| CHEMBL1951 | P21397 | Monoamine oxidase A | 99.34% | 91.49% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.63% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.94% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.78% | 95.56% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 93.47% | 89.00% |
| CHEMBL242 | Q92731 | Estrogen receptor beta | 91.02% | 98.35% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 90.24% | 99.23% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.60% | 86.33% |
| CHEMBL2535 | P11166 | Glucose transporter | 85.39% | 98.75% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 84.07% | 94.73% |
| CHEMBL1293255 | P15428 | 15-hydroxyprostaglandin dehydrogenase [NAD+] | 84.01% | 83.57% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 82.48% | 94.00% |
| CHEMBL3194 | P02766 | Transthyretin | 82.40% | 90.71% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 81.46% | 99.17% |
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.
| There are no matching plants. |
| PubChem | 76183433 |
| LOTUS | LTS0085742 |
| wikiData | Q105104299 |