2-(Hydroxymethyl)-6-[(4-hydroxy-2,6,6,13-tetramethyl-13-tetracyclo[10.3.1.01,10.02,7]hexadecanyl)oxy]oxane-3,4,5-triol
| Internal ID | 236d506e-a806-4132-a8d7-89b80f5a2585 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene glycosides > Diterpene glycosides |
| IUPAC Name | 2-(hydroxymethyl)-6-[(4-hydroxy-2,6,6,13-tetramethyl-13-tetracyclo[10.3.1.01,10.02,7]hexadecanyl)oxy]oxane-3,4,5-triol |
| SMILES (Canonical) | CC1(CC(CC2(C1CCC3C24CCC(C(C3)C4)(C)OC5C(C(C(C(O5)CO)O)O)O)C)O)C |
| SMILES (Isomeric) | CC1(CC(CC2(C1CCC3C24CCC(C(C3)C4)(C)OC5C(C(C(C(O5)CO)O)O)O)C)O)C |
| InChI | InChI=1S/C26H44O7/c1-23(2)11-16(28)12-24(3)18(23)6-5-14-9-15-10-26(14,24)8-7-25(15,4)33-22-21(31)20(30)19(29)17(13-27)32-22/h14-22,27-31H,5-13H2,1-4H3 |
| InChI Key | ZMCHBXFQGYGBOK-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C26H44O7 |
| Molecular Weight | 468.60 g/mol |
| Exact Mass | 468.30870374 g/mol |
| Topological Polar Surface Area (TPSA) | 120.00 Ų |
| XlogP | 2.60 |
| There are no found synonyms. |
![2D Structure of 2-(Hydroxymethyl)-6-[(4-hydroxy-2,6,6,13-tetramethyl-13-tetracyclo[10.3.1.01,10.02,7]hexadecanyl)oxy]oxane-3,4,5-triol](https://plantaedb.com/storage/docs/compounds/2023/11/ae79e280-8611-11ee-acbe-479570e09baa.jpg "2D Structure of 2-(Hydroxymethyl)-6-[(4-hydroxy-2,6,6,13-tetramethyl-13-tetracyclo[10.3.1.01,10.02,7]hexadecanyl)oxy]oxane-3,4,5-triol")
| 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 | 97.06% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.47% | 91.11% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 95.88% | 97.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 90.75% | 97.25% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 89.21% | 95.50% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 88.39% | 96.61% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 87.26% | 100.00% |
| CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 85.55% | 95.83% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.33% | 95.89% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 85.31% | 94.75% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 84.29% | 95.38% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 84.27% | 92.94% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 83.85% | 92.86% |
| CHEMBL233 | P35372 | Mu opioid receptor | 83.06% | 97.93% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 82.41% | 95.56% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 82.19% | 100.00% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 81.46% | 98.10% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 81.16% | 96.77% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 80.98% | 96.21% |
| CHEMBL1974 | P36888 | Tyrosine-protein kinase receptor FLT3 | 80.96% | 91.83% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 80.66% | 97.29% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 80.35% | 92.50% |
| CHEMBL3230 | O95977 | Sphingosine 1-phosphate receptor Edg-6 | 80.32% | 94.01% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 80.24% | 96.38% |
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 | 75049139 |
| LOTUS | LTS0077237 |
| wikiData | Q105379346 |