Gex1Q2
| Internal ID | 8b1a731a-349a-446a-aeff-62ca05f0100d |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene glycosides > Diterpene glycosides |
| IUPAC Name | 2-[(2R,5S,6S)-6-[(2E,4E)-6-hydroxy-7-[(2R,3R)-3-[(2R,3R,4R)-4-hydroxy-3-methoxypentan-2-yl]-2-methyloxiran-2-yl]-6-methylhepta-2,4-dien-2-yl]-5-methyloxan-2-yl]acetic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C25H42O7/c1-15(21-16(2)10-11-19(31-21)13-20(27)28)9-8-12-24(5,29)14-25(6)23(32-25)17(3)22(30-7)18(4)26/h8-9,12,16-19,21-23,26,29H,10-11,13-14H2,1-7H3,(H,27,28)/b12-8+,15-9+/t16-,17+,18+,19+,21+,22+,23+,24?,25+/m0/s1 |
| InChI Key | XEYORTHFOCCWON-SHIPTJQQSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C25H42O7 |
| Molecular Weight | 454.60 g/mol |
| Exact Mass | 454.29305367 g/mol |
| Topological Polar Surface Area (TPSA) | 109.00 Ų |
| XlogP | 2.80 |
| There are no found synonyms. |
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 96.93% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.45% | 96.09% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 95.75% | 96.47% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 94.27% | 83.82% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.03% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 93.79% | 85.14% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 92.07% | 93.56% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 90.63% | 94.73% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 90.34% | 98.75% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 89.73% | 97.14% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 88.30% | 91.19% |
| CHEMBL4662 | P28074 | Proteasome Macropain subunit MB1 | 88.27% | 93.85% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 87.77% | 95.89% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 87.54% | 95.71% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 85.64% | 99.17% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 85.23% | 93.00% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 84.84% | 91.07% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 84.65% | 96.77% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 84.15% | 100.00% |
| CHEMBL5028 | O14672 | ADAM10 | 83.53% | 97.50% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 83.04% | 94.45% |
| CHEMBL233 | P35372 | Mu opioid receptor | 82.12% | 97.93% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 81.51% | 86.33% |
| CHEMBL5888 | Q99558 | Mitogen-activated protein kinase kinase kinase 14 | 80.38% | 100.00% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 80.07% | 91.03% |
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 | 139585061 |
| LOTUS | LTS0028883 |
| wikiData | Q77382046 |