[10-Methoxy-2-oxo-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxatricyclo[5.3.1.04,11]undec-5-en-6-yl]methyl methylsulfanylformate
| Internal ID | eb850644-a1fc-4c5c-b033-68a4bee70085 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Glycosyl compounds > O-glycosyl compounds |
| IUPAC Name | [10-methoxy-2-oxo-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxatricyclo[5.3.1.04,11]undec-5-en-6-yl]methyl methylsulfanylformate |
| SMILES (Canonical) | COC1C2C3C(C=C(C3C(O1)OC4C(C(C(C(O4)CO)O)O)O)COC(=O)SC)OC2=O |
| SMILES (Isomeric) | COC1C2C3C(C=C(C3C(O1)OC4C(C(C(C(O4)CO)O)O)O)COC(=O)SC)OC2=O |
| InChI | InChI=1S/C19H26O12S/c1-26-16-11-10-7(28-15(11)24)3-6(5-27-19(25)32-2)9(10)17(30-16)31-18-14(23)13(22)12(21)8(4-20)29-18/h3,7-14,16-18,20-23H,4-5H2,1-2H3 |
| InChI Key | MBBUILKXOUSLOG-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C19H26O12S |
| Molecular Weight | 478.50 g/mol |
| Exact Mass | 478.11449743 g/mol |
| Topological Polar Surface Area (TPSA) | 196.00 Ų |
| XlogP | -1.70 |
| There are no found synonyms. |
![2D Structure of [10-Methoxy-2-oxo-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxatricyclo[5.3.1.04,11]undec-5-en-6-yl]methyl methylsulfanylformate](https://plantaedb.com/storage/docs/compounds/2023/11/fab319e0-8633-11ee-b0b9-993a90bf52f3.jpg "2D Structure of [10-Methoxy-2-oxo-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxatricyclo[5.3.1.04,11]undec-5-en-6-yl]methyl methylsulfanylformate")
| 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 | 95.44% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 89.69% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.85% | 95.56% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 86.19% | 99.17% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 86.05% | 94.73% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 86.00% | 86.92% |
| CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 85.78% | 97.36% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 85.65% | 94.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.49% | 86.33% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 82.62% | 92.50% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 82.52% | 94.45% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.75% | 89.00% |
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.
| Paederia foetida |
| Saprosma scortechinii |
| PubChem | 19979141 |
| LOTUS | LTS0139003 |
| wikiData | Q105160643 |