[3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl] 2-formyl-4,8-dimethyl-13-methylidenetetracyclo[10.2.1.01,9.03,8]pentadecane-4-carboxylate
| Internal ID | b6b01ce6-842d-4ee4-9dc7-aabf04c97bfa |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene glycosides > Diterpene glycosides |
| IUPAC Name | [3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] 2-formyl-4,8-dimethyl-13-methylidenetetracyclo[10.2.1.01,9.03,8]pentadecane-4-carboxylate |
| SMILES (Canonical) | CC12CCCC(C1C(C34C2CCC(C3)C(=C)C4)C=O)(C)C(=O)OC5C(C(C(C(O5)CO)O)O)O |
| SMILES (Isomeric) | CC12CCCC(C1C(C34C2CCC(C3)C(=C)C4)C=O)(C)C(=O)OC5C(C(C(C(O5)CO)O)O)O |
| InChI | InChI=1S/C26H38O8/c1-13-9-26-10-14(13)5-6-17(26)24(2)7-4-8-25(3,21(24)15(26)11-27)23(32)34-22-20(31)19(30)18(29)16(12-28)33-22/h11,14-22,28-31H,1,4-10,12H2,2-3H3 |
| InChI Key | CWSYHNWOKDWRFO-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C26H38O8 |
| Molecular Weight | 478.60 g/mol |
| Exact Mass | 478.25666817 g/mol |
| Topological Polar Surface Area (TPSA) | 134.00 Ų |
| XlogP | 2.00 |
| There are no found synonyms. |
![2D Structure of [3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl] 2-formyl-4,8-dimethyl-13-methylidenetetracyclo[10.2.1.01,9.03,8]pentadecane-4-carboxylate](https://plantaedb.com/storage/docs/compounds/2023/11/51c45600-84c0-11ee-8485-957e25875a31.jpg "2D Structure of [3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl] 2-formyl-4,8-dimethyl-13-methylidenetetracyclo[10.2.1.01,9.03,8]pentadecane-4-carboxylate")
| 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 | 97.85% | 91.11% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 97.09% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.53% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.73% | 94.45% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 93.69% | 95.50% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 93.26% | 98.10% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 91.46% | 95.93% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.83% | 97.09% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 89.70% | 96.21% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 88.00% | 92.50% |
| CHEMBL2581 | P07339 | Cathepsin D | 87.55% | 98.95% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 86.97% | 93.04% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 85.75% | 96.77% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 85.50% | 96.38% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.46% | 100.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.99% | 95.89% |
| CHEMBL3392948 | Q9NP59 | Solute carrier family 40 member 1 | 82.54% | 95.00% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 81.82% | 92.62% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 81.59% | 95.56% |
| CHEMBL2072 | P35499 | Sodium channel protein type IV alpha subunit | 81.26% | 92.32% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 81.25% | 100.00% |
| CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 80.72% | 95.83% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 80.40% | 94.33% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 80.26% | 96.61% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 80.25% | 91.19% |
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.
| Ipomoea nil |
| PubChem | 56667348 |
| LOTUS | LTS0253287 |
| wikiData | Q104400787 |