2-[4-(15,16-Dihydroxy-6-methoxy-7,9,13-trimethyl-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosan-6-yl)-2-methylbutoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
| Internal ID | 735b9895-09b7-4124-8b1c-e8dcb0258cd0 |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Steroidal glycosides > Steroidal saponins |
| IUPAC Name | 2-[4-(15,16-dihydroxy-6-methoxy-7,9,13-trimethyl-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosan-6-yl)-2-methylbutoxy]-6-(hydroxymethyl)oxane-3,4,5-triol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C34H58O10/c1-17(16-42-31-30(40)29(39)28(38)26(15-35)43-31)8-11-34(41-5)18(2)27-25(44-34)13-22-20-7-6-19-12-23(36)24(37)14-33(19,4)21(20)9-10-32(22,27)3/h17-31,35-40H,6-16H2,1-5H3 |
| InChI Key | FHWPTDZMKYNZEN-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C34H58O10 |
| Molecular Weight | 626.80 g/mol |
| Exact Mass | 626.40299804 g/mol |
| Topological Polar Surface Area (TPSA) | 158.00 Ų |
| XlogP | 3.50 |
| There are no found synonyms. |
![2D Structure of 2-[4-(15,16-Dihydroxy-6-methoxy-7,9,13-trimethyl-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosan-6-yl)-2-methylbutoxy]-6-(hydroxymethyl)oxane-3,4,5-triol](https://plantaedb.com/storage/docs/compounds/2023/11/67fbab50-8556-11ee-89c7-a16a7793b70f.jpg "2D Structure of 2-[4-(15,16-Dihydroxy-6-methoxy-7,9,13-trimethyl-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosan-6-yl)-2-methylbutoxy]-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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 99.14% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.29% | 91.11% |
| CHEMBL220 | P22303 | Acetylcholinesterase | 95.61% | 94.45% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 95.24% | 97.09% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 94.75% | 96.61% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 94.41% | 98.10% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 93.74% | 89.05% |
| CHEMBL204 | P00734 | Thrombin | 92.58% | 96.01% |
| CHEMBL4581 | P52732 | Kinesin-like protein 1 | 91.49% | 93.18% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 91.27% | 92.86% |
| CHEMBL2730 | P21980 | Protein-glutamine gamma-glutamyltransferase | 91.04% | 92.38% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 90.38% | 100.00% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 89.54% | 95.93% |
| CHEMBL2094135 | Q96BI3 | Gamma-secretase | 89.40% | 98.05% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 89.39% | 96.21% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.86% | 94.45% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 88.60% | 97.25% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 88.51% | 95.89% |
| CHEMBL2534 | O15530 | 3-phosphoinositide dependent protein kinase-1 | 88.18% | 95.36% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 87.11% | 97.79% |
| CHEMBL1871 | P10275 | Androgen Receptor | 85.62% | 96.43% |
| CHEMBL203 | P00533 | Epidermal growth factor receptor erbB1 | 85.15% | 97.34% |
| CHEMBL4302 | P08183 | P-glycoprotein 1 | 83.79% | 92.98% |
| CHEMBL233 | P35372 | Mu opioid receptor | 83.38% | 97.93% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.31% | 95.89% |
| CHEMBL5888 | Q99558 | Mitogen-activated protein kinase kinase kinase 14 | 82.72% | 100.00% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 82.67% | 97.14% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 82.57% | 100.00% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 81.88% | 95.50% |
| CHEMBL2140 | P48775 | Tryptophan 2,3-dioxygenase | 81.57% | 98.46% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 81.53% | 100.00% |
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.
| Hosta plantaginea |
| PubChem | 162939472 |
| LOTUS | LTS0016893 |
| wikiData | Q104995488 |