8-[5-[5-[4-Hydroxy-5-(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-5,19-dimethyl-15,18,20-trioxahexacyclo[14.5.1.01,14.04,13.05,10.019,22]docosa-10,13-dien-7-ol
| Internal ID | 62c802fd-c087-4960-8d0d-1a7708ed4cca |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Steroidal glycosides |
| IUPAC Name | 8-[5-[5-[4-hydroxy-5-(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-5,19-dimethyl-15,18,20-trioxahexacyclo[14.5.1.01,14.04,13.05,10.019,22]docosa-10,13-dien-7-ol |
| SMILES (Canonical) | CC1C(C(CC(O1)OC2C(OC(CC2O)OC3C(OC(CC3OC)OC4C(OC(CC4OC)OC5CC6=CCC7=C8C9(CCC7C6(CC5O)C)COC1(C9C(O8)CO1)C)C)C)C)OC)O |
| SMILES (Isomeric) | CC1C(C(CC(O1)OC2C(OC(CC2O)OC3C(OC(CC3OC)OC4C(OC(CC4OC)OC5CC6=CCC7=C8C9(CCC7C6(CC5O)C)COC1(C9C(O8)CO1)C)C)C)C)OC)O |
| InChI | InChI=1S/C48H74O17/c1-22-40(51)32(52-7)16-38(57-22)63-41-23(2)58-36(15-29(41)49)64-42-25(4)60-39(18-34(42)54-9)65-43-24(3)59-37(17-33(43)53-8)61-31-14-26-10-11-27-28(46(26,5)19-30(31)50)12-13-48-21-56-47(6)44(48)35(20-55-47)62-45(27)48/h10,22-25,28-44,49-51H,11-21H2,1-9H3 |
| InChI Key | LSUPAWFDJKFYAS-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C48H74O17 |
| Molecular Weight | 923.10 g/mol |
| Exact Mass | 922.49260089 g/mol |
| Topological Polar Surface Area (TPSA) | 190.00 Ų |
| XlogP | 2.10 |
| There are no found synonyms. |
![2D Structure of 8-[5-[5-[4-Hydroxy-5-(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-5,19-dimethyl-15,18,20-trioxahexacyclo[14.5.1.01,14.04,13.05,10.019,22]docosa-10,13-dien-7-ol](https://plantaedb.com/storage/docs/compounds/2023/11/d173cce0-874c-11ee-81ea-4b76183b20a4.jpg "2D Structure of 8-[5-[5-[4-Hydroxy-5-(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-5,19-dimethyl-15,18,20-trioxahexacyclo[14.5.1.01,14.04,13.05,10.019,22]docosa-10,13-dien-7-ol")
| 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 | 98.33% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.14% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 94.18% | 85.14% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 93.80% | 100.00% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 93.27% | 95.93% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 93.24% | 97.09% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 93.01% | 92.94% |
| CHEMBL2243 | O00519 | Anandamide amidohydrolase | 92.50% | 97.53% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.04% | 94.45% |
| CHEMBL4072 | P07858 | Cathepsin B | 90.84% | 93.67% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 90.35% | 95.89% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.86% | 89.00% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 88.16% | 97.14% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 87.89% | 95.89% |
| CHEMBL3713062 | P10646 | Tissue factor pathway inhibitor | 87.63% | 97.33% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 87.57% | 94.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.55% | 86.33% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 84.15% | 96.95% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 82.99% | 92.62% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 82.46% | 91.03% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 82.11% | 89.50% |
| CHEMBL1914 | P06276 | Butyrylcholinesterase | 81.76% | 95.00% |
| CHEMBL1075162 | Q13304 | Uracil nucleotide/cysteinyl leukotriene receptor | 80.91% | 80.33% |
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.
| Vincetoxicum sublanceolatum |
| PubChem | 162868703 |
| LOTUS | LTS0070131 |
| wikiData | Q105156768 |