(1R,2R,4R,5S,8R,9R,10R,13S,15R)-8,15-dihydroxy-5,9-dimethyl-14-methylidene-2-[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxytetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid
| Internal ID | d56d8607-72ba-427f-8e31-4038d6f222da |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene glycosides > Diterpene glycosides |
| IUPAC Name | (1R,2R,4R,5S,8R,9R,10R,13S,15R)-8,15-dihydroxy-5,9-dimethyl-14-methylidene-2-[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxytetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C26H40O10/c1-11-12-4-5-14-25(3)15(24(2,23(33)34)7-6-16(25)28)8-17(26(14,9-12)21(11)32)36-22-20(31)19(30)18(29)13(10-27)35-22/h12-22,27-32H,1,4-10H2,2-3H3,(H,33,34)/t12-,13-,14+,15-,16+,17+,18-,19+,20-,21+,22+,24-,25+,26-/m0/s1 |
| InChI Key | GSYQWZOSLUEAHT-YHXIJXRUSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C26H40O10 |
| Molecular Weight | 512.60 g/mol |
| Exact Mass | 512.26214747 g/mol |
| Topological Polar Surface Area (TPSA) | 177.00 Ų |
| XlogP | -0.20 |
| There are no found synonyms. |
![2D Structure of (1R,2R,4R,5S,8R,9R,10R,13S,15R)-8,15-dihydroxy-5,9-dimethyl-14-methylidene-2-[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxytetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid](https://plantaedb.com/storage/docs/compounds/2023/11/6acfe6b0-84c7-11ee-945d-392323fa572d.jpg "2D Structure of (1R,2R,4R,5S,8R,9R,10R,13S,15R)-8,15-dihydroxy-5,9-dimethyl-14-methylidene-2-[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxytetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.01% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.83% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.59% | 97.09% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 86.61% | 95.50% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 85.75% | 97.25% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.89% | 86.33% |
| CHEMBL1293316 | Q9HBX9 | Relaxin receptor 1 | 83.84% | 82.50% |
| CHEMBL2581 | P07339 | Cathepsin D | 83.47% | 98.95% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 83.30% | 96.38% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 82.27% | 92.50% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.18% | 89.00% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.91% | 100.00% |
| CHEMBL5028 | O14672 | ADAM10 | 81.41% | 97.50% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 81.18% | 100.00% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 80.98% | 96.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.65% | 95.89% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 80.52% | 95.56% |
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 | 162978940 |
| LOTUS | LTS0201679 |
| wikiData | Q105018285 |