10-[4,5-Dihydroxy-6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxydeca-4,6-diynoic acid
| Internal ID | 32023daf-79cc-429f-b312-12875487638f |
| Taxonomy | Lipids and lipid-like molecules > Saccharolipids |
| IUPAC Name | 10-[4,5-dihydroxy-6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxydeca-4,6-diynoic acid |
| SMILES (Canonical) | C(CC#CC#CCCC(=O)O)COC1C(C(C(C(O1)CO)O)O)OC2C(C(C(C(O2)CO)O)O)O |
| SMILES (Isomeric) | C(CC#CC#CCCC(=O)O)COC1C(C(C(C(O1)CO)O)O)OC2C(C(C(C(O2)CO)O)O)O |
| InChI | InChI=1S/C22H32O13/c23-10-12-15(27)17(29)19(31)21(33-12)35-20-18(30)16(28)13(11-24)34-22(20)32-9-7-5-3-1-2-4-6-8-14(25)26/h12-13,15-24,27-31H,5-11H2,(H,25,26) |
| InChI Key | ZYTJYTFHMURSAB-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C22H32O13 |
| Molecular Weight | 504.50 g/mol |
| Exact Mass | 504.18429107 g/mol |
| Topological Polar Surface Area (TPSA) | 216.00 Ų |
| XlogP | -2.40 |
| There are no found synonyms. |
![2D Structure of 10-[4,5-Dihydroxy-6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxydeca-4,6-diynoic acid](https://plantaedb.com/storage/docs/compounds/2023/11/c4c66bb0-8768-11ee-8ad1-4dbc5669f74e.jpg "2D Structure of 10-[4,5-Dihydroxy-6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxydeca-4,6-diynoic 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.44% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 94.12% | 99.17% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.70% | 91.11% |
| CHEMBL4618 | P09960 | Leukotriene A4 hydrolase | 88.94% | 97.86% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 87.06% | 92.50% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 86.10% | 96.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.24% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 85.02% | 98.95% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 80.99% | 94.33% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 80.33% | 86.92% |
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.
| Panax notoginseng |
| PubChem | 85219009 |
| LOTUS | LTS0200154 |
| wikiData | Q105386408 |