CID 139585627
| Internal ID | 44c6081d-bbbf-4a07-be6d-64f9f8caf081 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene glycosides > Diterpene glycosides |
| IUPAC Name | (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[2-[(2R,5S,6S)-6-[(2E,4E,6S)-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]acetyl]oxyoxane-2-carboxylic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C31H50O12/c1-15(14-31(6)28(43-31)18(4)26(39-7)19(5)32)9-8-10-16(2)25-17(3)11-12-20(40-25)13-21(33)41-30-24(36)22(34)23(35)27(42-30)29(37)38/h8-10,15,17-20,22-28,30,32,34-36H,11-14H2,1-7H3,(H,37,38)/b9-8+,16-10+/t15-,17+,18-,19-,20-,22+,23+,24-,25-,26-,27+,28-,30-,31-/m1/s1 |
| InChI Key | AYMYUCNZABRFKF-QAFHNNTESA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C31H50O12 |
| Molecular Weight | 614.70 g/mol |
| Exact Mass | 614.33022703 g/mol |
| Topological Polar Surface Area (TPSA) | 185.00 Ų |
| XlogP | 2.50 |
| 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 |
|---|---|---|---|---|
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 99.86% | 83.82% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 97.90% | 85.14% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.45% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.39% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.35% | 91.11% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 90.61% | 96.47% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 88.92% | 93.56% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 88.63% | 96.00% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 87.93% | 95.89% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 87.65% | 91.19% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 87.32% | 99.17% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 87.11% | 96.77% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 86.69% | 98.10% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 86.65% | 97.14% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 86.44% | 100.00% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 85.84% | 98.75% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.13% | 95.89% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 83.95% | 93.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.90% | 86.33% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 83.47% | 95.71% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 83.20% | 96.38% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 82.11% | 92.50% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 82.06% | 90.17% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 81.74% | 89.50% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 81.08% | 94.33% |
| CHEMBL5888 | Q99558 | Mitogen-activated protein kinase kinase kinase 14 | 81.02% | 100.00% |
| CHEMBL3392948 | Q9NP59 | Solute carrier family 40 member 1 | 80.58% | 95.00% |
| CHEMBL1293316 | Q9HBX9 | Relaxin receptor 1 | 80.39% | 82.50% |
| CHEMBL4302 | P08183 | P-glycoprotein 1 | 80.27% | 92.98% |
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.
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| There are no matching plants. |
| PubChem | 139585627 |
| LOTUS | LTS0179598 |
| wikiData | Q77483870 |