6,14,15-Trihydroxy-5,9-dimethyl-14-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]tetracyclo[11.2.1.01,10.04,9]hexadecane-5-carbaldehyde
| Internal ID | b0f623dd-1ed3-4991-b95e-eafc967d7970 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene glycosides > Diterpene glycosides |
| IUPAC Name | 6,14,15-trihydroxy-5,9-dimethyl-14-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]tetracyclo[11.2.1.01,10.04,9]hexadecane-5-carbaldehyde |
| SMILES (Canonical) | CC12CCC(C(C1CCC34C2CCC(C3)C(C4O)(COC5C(C(C(C(O5)CO)O)O)O)O)(C)C=O)O |
| SMILES (Isomeric) | CC12CCC(C(C1CCC34C2CCC(C3)C(C4O)(COC5C(C(C(C(O5)CO)O)O)O)O)(C)C=O)O |
| InChI | InChI=1S/C26H42O10/c1-23-7-6-17(29)24(2,11-28)15(23)5-8-25-9-13(3-4-16(23)25)26(34,22(25)33)12-35-21-20(32)19(31)18(30)14(10-27)36-21/h11,13-22,27,29-34H,3-10,12H2,1-2H3 |
| InChI Key | XONCAQDLETZSOJ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C26H42O10 |
| Molecular Weight | 514.60 g/mol |
| Exact Mass | 514.27779753 g/mol |
| Topological Polar Surface Area (TPSA) | 177.00 Ų |
| XlogP | -0.20 |
| There are no found synonyms. |
![2D Structure of 6,14,15-Trihydroxy-5,9-dimethyl-14-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]tetracyclo[11.2.1.01,10.04,9]hexadecane-5-carbaldehyde](https://plantaedb.com/storage/docs/compounds/2023/11/b35dd110-8638-11ee-bbc4-81fa5c0422bc.jpg "2D Structure of 6,14,15-Trihydroxy-5,9-dimethyl-14-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]tetracyclo[11.2.1.01,10.04,9]hexadecane-5-carbaldehyde")
| 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 | 96.00% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.22% | 91.11% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 94.44% | 97.09% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 93.91% | 95.93% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 89.67% | 97.25% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 89.17% | 100.00% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 88.64% | 95.50% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.37% | 94.45% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.68% | 95.89% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 86.27% | 96.61% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 85.78% | 98.10% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 83.18% | 92.86% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 82.78% | 96.38% |
| CHEMBL1075317 | P61964 | WD repeat-containing protein 5 | 82.41% | 96.33% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 81.39% | 95.38% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 81.29% | 93.10% |
| CHEMBL233 | P35372 | Mu opioid receptor | 81.14% | 97.93% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 80.97% | 95.56% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 80.11% | 94.33% |
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.
| Diplospora dubia |
| PubChem | 162849160 |
| LOTUS | LTS0096694 |
| wikiData | Q105337818 |