3-Hydroxy-7-[1-hydroxy-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]-1,1,4a,7-tetramethyl-3,4,4b,5,6,9,10,10a-octahydrophenanthren-2-one
| Internal ID | 27202bfa-02dd-4d80-9ea4-243bcc9518f5 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene glycosides > Diterpene glycosides |
| IUPAC Name | 3-hydroxy-7-[1-hydroxy-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]-1,1,4a,7-tetramethyl-3,4,4b,5,6,9,10,10a-octahydrophenanthren-2-one |
| SMILES (Canonical) | CC1(C2CCC3=CC(CCC3C2(CC(C1=O)O)C)(C)C(COC4C(C(C(C(O4)CO)O)O)O)O)C |
| SMILES (Isomeric) | CC1(C2CCC3=CC(CCC3C2(CC(C1=O)O)C)(C)C(COC4C(C(C(C(O4)CO)O)O)O)O)C |
| InChI | InChI=1S/C26H42O9/c1-24(2)17-6-5-13-9-25(3,8-7-14(13)26(17,4)10-15(28)22(24)33)18(29)12-34-23-21(32)20(31)19(30)16(11-27)35-23/h9,14-21,23,27-32H,5-8,10-12H2,1-4H3 |
| InChI Key | FUJRBHLXKUIEDO-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C26H42O9 |
| Molecular Weight | 498.60 g/mol |
| Exact Mass | 498.28288291 g/mol |
| Topological Polar Surface Area (TPSA) | 157.00 Ų |
| XlogP | 0.70 |
| There are no found synonyms. |
![2D Structure of 3-Hydroxy-7-[1-hydroxy-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]-1,1,4a,7-tetramethyl-3,4,4b,5,6,9,10,10a-octahydrophenanthren-2-one](https://plantaedb.com/storage/docs/compounds/2023/11/aca656a0-8728-11ee-8584-a54efe2b781c.jpg "2D Structure of 3-Hydroxy-7-[1-hydroxy-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]-1,1,4a,7-tetramethyl-3,4,4b,5,6,9,10,10a-octahydrophenanthren-2-one")
| 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 | 98.55% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.61% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 94.37% | 97.25% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 94.19% | 97.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.64% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.16% | 94.45% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.45% | 95.89% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 87.76% | 100.00% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 85.51% | 95.89% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 85.19% | 92.50% |
| CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 84.18% | 97.36% |
| CHEMBL3713062 | P10646 | Tissue factor pathway inhibitor | 83.96% | 97.33% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 83.74% | 92.62% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 83.35% | 94.75% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.34% | 89.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 81.75% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 81.55% | 86.33% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 80.76% | 100.00% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 80.54% | 93.04% |
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.
| Relhania calycina |
| PubChem | 14733575 |
| LOTUS | LTS0093265 |
| wikiData | Q105001780 |