7-(2-Hydroxypropan-2-yl)-1,4a-dimethyl-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4,5,6,7,8-hexahydronaphthalen-2-one
| Internal ID | e28fccfd-3426-4952-853f-cea25ae28320 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene glycosides |
| IUPAC Name | 7-(2-hydroxypropan-2-yl)-1,4a-dimethyl-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4,5,6,7,8-hexahydronaphthalen-2-one |
| SMILES (Canonical) | CC1=C2CC(CCC2(C(CC1=O)OC3C(C(C(C(O3)CO)O)O)O)C)C(C)(C)O |
| SMILES (Isomeric) | CC1=C2CC(CCC2(C(CC1=O)OC3C(C(C(C(O3)CO)O)O)O)C)C(C)(C)O |
| InChI | InChI=1S/C21H34O8/c1-10-12-7-11(20(2,3)27)5-6-21(12,4)15(8-13(10)23)29-19-18(26)17(25)16(24)14(9-22)28-19/h11,14-19,22,24-27H,5-9H2,1-4H3 |
| InChI Key | GNTQYDMQNLYENY-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H34O8 |
| Molecular Weight | 414.50 g/mol |
| Exact Mass | 414.22536804 g/mol |
| Topological Polar Surface Area (TPSA) | 137.00 Ų |
| XlogP | -0.50 |
| There are no found synonyms. |
![2D Structure of 7-(2-Hydroxypropan-2-yl)-1,4a-dimethyl-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4,5,6,7,8-hexahydronaphthalen-2-one](https://plantaedb.com/storage/docs/compounds/2023/11/8c7e9050-85ce-11ee-9dbd-59e198b3a458.jpg "2D Structure of 7-(2-Hydroxypropan-2-yl)-1,4a-dimethyl-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4,5,6,7,8-hexahydronaphthalen-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 | 97.59% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.85% | 98.95% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 94.24% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.72% | 96.09% |
| CHEMBL1871 | P10275 | Androgen Receptor | 90.58% | 96.43% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 89.87% | 85.14% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.27% | 97.09% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 89.23% | 93.04% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.79% | 89.00% |
| CHEMBL220 | P22303 | Acetylcholinesterase | 88.30% | 94.45% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.64% | 95.89% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.01% | 95.56% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 85.86% | 100.00% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 85.78% | 97.14% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 83.93% | 94.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.83% | 86.33% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 83.47% | 97.79% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 83.46% | 94.73% |
| CHEMBL3524 | P56524 | Histone deacetylase 4 | 82.30% | 92.97% |
| CHEMBL5888 | Q99558 | Mitogen-activated protein kinase kinase kinase 14 | 81.73% | 100.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 81.31% | 99.23% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 80.66% | 94.75% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 80.37% | 92.50% |
| CHEMBL3713062 | P10646 | Tissue factor pathway inhibitor | 80.19% | 97.33% |
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.
| Chloranthus anhuiensis |
| PubChem | 75221145 |
| LOTUS | LTS0143210 |
| wikiData | Q105013302 |