N-[2-[(7-ethenyl-1,4a,7-trimethyl-2-oxo-3,4,4b,5,6,8,10,10a-octahydrophenanthren-1-yl)methoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
| Internal ID | e6752cb0-8194-46aa-a07f-bc6a51f61c90 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene glycosides > Diterpene glycosides |
| IUPAC Name | N-[2-[(7-ethenyl-1,4a,7-trimethyl-2-oxo-3,4,4b,5,6,8,10,10a-octahydrophenanthren-1-yl)methoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide |
| SMILES (Canonical) | CC(=O)NC1C(C(C(OC1OCC2(C3CC=C4CC(CCC4C3(CCC2=O)C)(C)C=C)C)CO)O)O |
| SMILES (Isomeric) | CC(=O)NC1C(C(C(OC1OCC2(C3CC=C4CC(CCC4C3(CCC2=O)C)(C)C=C)C)CO)O)O |
| InChI | InChI=1S/C28H43NO7/c1-6-26(3)11-9-18-17(13-26)7-8-20-27(18,4)12-10-21(32)28(20,5)15-35-25-22(29-16(2)31)24(34)23(33)19(14-30)36-25/h6-7,18-20,22-25,30,33-34H,1,8-15H2,2-5H3,(H,29,31) |
| InChI Key | RYMRBZLMNSFPIZ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C28H43NO7 |
| Molecular Weight | 505.60 g/mol |
| Exact Mass | 505.30395271 g/mol |
| Topological Polar Surface Area (TPSA) | 125.00 Ų |
| XlogP | 2.10 |
| There are no found synonyms. |
![2D Structure of N-[2-[(7-ethenyl-1,4a,7-trimethyl-2-oxo-3,4,4b,5,6,8,10,10a-octahydrophenanthren-1-yl)methoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide](https://plantaedb.com/storage/docs/compounds/2023/11/481a4090-86f6-11ee-b462-d91d828fbaf2.jpg "2D Structure of N-[2-[(7-ethenyl-1,4a,7-trimethyl-2-oxo-3,4,4b,5,6,8,10,10a-octahydrophenanthren-1-yl)methoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide")
| 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 | 99.31% | 91.11% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 95.58% | 83.82% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.42% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.83% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.11% | 97.09% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 89.20% | 100.00% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 89.12% | 91.24% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 88.84% | 97.25% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 87.98% | 92.50% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 86.99% | 94.75% |
| CHEMBL2581 | P07339 | Cathepsin D | 85.19% | 98.95% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.06% | 95.89% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 84.84% | 96.21% |
| CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 84.74% | 95.83% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 84.63% | 89.34% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 84.43% | 99.17% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.19% | 89.00% |
| CHEMBL5028 | O14672 | ADAM10 | 83.40% | 97.50% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 82.49% | 95.89% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 81.41% | 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.
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| There are no matching plants. |
| PubChem | 76032272 |
| LOTUS | LTS0193751 |
| wikiData | Q104197067 |