2-[(7-Hydroxy-6,9a-dimethyl-1-methylidene-3a,5,5a,7,8,9,9b,10,11,11a-decahydronaphtho[1,2-g][1]benzofuran-6-yl)methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
| Internal ID | 8db6313a-c29a-4658-ad81-243db097199b |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Steroidal glycosides |
| IUPAC Name | 2-[(7-hydroxy-6,9a-dimethyl-1-methylidene-3a,5,5a,7,8,9,9b,10,11,11a-decahydronaphtho[1,2-g][1]benzofuran-6-yl)methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol |
| SMILES (Canonical) | CC12CCC(C(C1CC=C3C2CCC4C3OCC4=C)(C)COC5C(C(C(C(O5)CO)O)O)O)O |
| SMILES (Isomeric) | CC12CCC(C(C1CC=C3C2CCC4C3OCC4=C)(C)COC5C(C(C(C(O5)CO)O)O)O)O |
| InChI | InChI=1S/C26H40O8/c1-13-11-32-23-14(13)4-6-16-15(23)5-7-18-25(16,2)9-8-19(28)26(18,3)12-33-24-22(31)21(30)20(29)17(10-27)34-24/h5,14,16-24,27-31H,1,4,6-12H2,2-3H3 |
| InChI Key | PTMOOBGLPHWIJF-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C26H40O8 |
| Molecular Weight | 480.60 g/mol |
| Exact Mass | 480.27231823 g/mol |
| Topological Polar Surface Area (TPSA) | 129.00 Ų |
| XlogP | 0.30 |
| There are no found synonyms. |
![2D Structure of 2-[(7-Hydroxy-6,9a-dimethyl-1-methylidene-3a,5,5a,7,8,9,9b,10,11,11a-decahydronaphtho[1,2-g][1]benzofuran-6-yl)methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol](https://plantaedb.com/storage/docs/compounds/2023/11/c0e28260-85ac-11ee-9503-59f9d813c3d5.jpg "2D Structure of 2-[(7-Hydroxy-6,9a-dimethyl-1-methylidene-3a,5,5a,7,8,9,9b,10,11,11a-decahydronaphtho[1,2-g][1]benzofuran-6-yl)methoxy]-6-(hydroxymethyl)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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.12% | 91.11% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 94.90% | 97.09% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.64% | 96.09% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 91.08% | 95.93% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.37% | 94.45% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 89.32% | 97.25% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 87.15% | 100.00% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 86.85% | 94.75% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.73% | 95.89% |
| CHEMBL2581 | P07339 | Cathepsin D | 85.01% | 98.95% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 83.31% | 97.79% |
| CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 83.13% | 95.83% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 82.84% | 96.61% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.12% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 81.72% | 95.56% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 81.02% | 96.21% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 80.49% | 94.73% |
| CHEMBL5028 | O14672 | ADAM10 | 80.16% | 97.50% |
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.
| Isodon rubescens |
| PubChem | 72980993 |
| LOTUS | LTS0219922 |
| wikiData | Q105214743 |