2-(3',4',7-Trihydroxy-6'-methyl-2,9-dioxospiro[12,15-dioxatetracyclo[8.4.1.01,10.03,8]pentadeca-3(8),4,6-triene-11,2'-oxane]-13-yl)acetic acid
| Internal ID | 3926074d-f51b-42d9-814f-dbafae1d0ebb |
| Taxonomy | Organoheterocyclic compounds > Naphthopyrans > Naphthopyranones |
| IUPAC Name | 2-(3',4',7-trihydroxy-6'-methyl-2,9-dioxospiro[12,15-dioxatetracyclo[8.4.1.01,10.03,8]pentadeca-3(8),4,6-triene-11,2'-oxane]-13-yl)acetic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C20H20O10/c1-8-5-12(22)16(26)20(28-8)19-17(27)14-10(3-2-4-11(14)21)15(25)18(19,30-19)7-9(29-20)6-13(23)24/h2-4,8-9,12,16,21-22,26H,5-7H2,1H3,(H,23,24) |
| InChI Key | ZRTFDOHHKNWDGO-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H20O10 |
| Molecular Weight | 420.40 g/mol |
| Exact Mass | 420.10564683 g/mol |
| Topological Polar Surface Area (TPSA) | 163.00 Ų |
| XlogP | -0.40 |
| There are no found synonyms. |
![2D Structure of 2-(3',4',7-Trihydroxy-6'-methyl-2,9-dioxospiro[12,15-dioxatetracyclo[8.4.1.01,10.03,8]pentadeca-3(8),4,6-triene-11,2'-oxane]-13-yl)acetic acid](https://plantaedb.com/storage/docs/compounds/2023/11/076bc620-8720-11ee-88ba-85c5e16a666b.jpg "2D Structure of 2-(3',4',7-Trihydroxy-6'-methyl-2,9-dioxospiro[12,15-dioxatetracyclo[8.4.1.01,10.03,8]pentadeca-3(8),4,6-triene-11,2'-oxane]-13-yl)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 | 98.75% | 91.49% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.51% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.22% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.67% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 95.15% | 85.14% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.86% | 95.56% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 93.11% | 89.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.12% | 97.09% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 89.98% | 99.23% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.75% | 86.33% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 83.16% | 97.79% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.78% | 100.00% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 81.14% | 91.19% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 80.50% | 93.56% |
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 | 74073022 |
| LOTUS | LTS0024366 |
| wikiData | Q104202727 |