(1Z,4S,5R,8S,13R,16S,19R,22R)-8-[(2R,4R,5S,6R)-4-hydroxy-5-[(2S,4S,5S,6R)-4-hydroxy-5-[(2S,4R,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-5,19-dimethyl-15,18,20-trioxapentacyclo[14.5.1.04,13.05,10.019,22]docosa-1,10-diene-14,21-dione
| Internal ID | 2d98deab-6c94-4f2b-98fb-eca5babb7b5f |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Oligosaccharides |
| IUPAC Name | (1Z,4S,5R,8S,13R,16S,19R,22R)-8-[(2R,4R,5S,6R)-4-hydroxy-5-[(2S,4S,5S,6R)-4-hydroxy-5-[(2S,4R,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-5,19-dimethyl-15,18,20-trioxapentacyclo[14.5.1.04,13.05,10.019,22]docosa-1,10-diene-14,21-dione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C40H58O15/c1-18-34(43)28(46-6)16-32(48-18)54-36-20(3)50-31(15-27(36)42)53-35-19(2)49-30(14-26(35)41)51-22-11-12-39(4)21(13-22)7-8-23-25(39)10-9-24-33-29(52-37(23)44)17-47-40(33,5)55-38(24)45/h7,9,18-20,22-23,25-36,41-43H,8,10-17H2,1-6H3/b24-9-/t18-,19+,20+,22-,23+,25-,26+,27-,28+,29+,30-,31-,32-,33+,34-,35+,36+,39-,40+/m0/s1 |
| InChI Key | XRWWJGGSZAGWSN-SWLZSFNWSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C40H58O15 |
| Molecular Weight | 778.90 g/mol |
| Exact Mass | 778.37757114 g/mol |
| Topological Polar Surface Area (TPSA) | 187.00 Ų |
| XlogP | 2.00 |
| There are no found synonyms. |
![2D Structure of (1Z,4S,5R,8S,13R,16S,19R,22R)-8-[(2R,4R,5S,6R)-4-hydroxy-5-[(2S,4S,5S,6R)-4-hydroxy-5-[(2S,4R,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-5,19-dimethyl-15,18,20-trioxapentacyclo[14.5.1.04,13.05,10.019,22]docosa-1,10-diene-14,21-dione](https://plantaedb.com/storage/docs/compounds/2023/11/346250b0-8522-11ee-82f4-77dc98bcaaf0.jpg "2D Structure of (1Z,4S,5R,8S,13R,16S,19R,22R)-8-[(2R,4R,5S,6R)-4-hydroxy-5-[(2S,4S,5S,6R)-4-hydroxy-5-[(2S,4R,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-5,19-dimethyl-15,18,20-trioxapentacyclo[14.5.1.04,13.05,10.019,22]docosa-1,10-diene-14,21-dione")
| 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 |
|---|---|---|---|---|
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 99.72% | 85.14% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.01% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.17% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 92.81% | 97.25% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 92.81% | 89.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.94% | 98.95% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.29% | 97.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.23% | 95.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.59% | 94.45% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 89.19% | 97.14% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 89.06% | 100.00% |
| CHEMBL1914 | P06276 | Butyrylcholinesterase | 87.49% | 95.00% |
| CHEMBL3713062 | P10646 | Tissue factor pathway inhibitor | 86.55% | 97.33% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 86.23% | 94.00% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 85.23% | 91.07% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.98% | 95.89% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.91% | 86.33% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 83.87% | 92.62% |
| CHEMBL5028 | O14672 | ADAM10 | 82.69% | 97.50% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 82.57% | 99.23% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 82.41% | 95.50% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 81.02% | 100.00% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 80.65% | 92.94% |
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 stauntonii |
| PubChem | 163194948 |
| LOTUS | LTS0084736 |
| wikiData | Q105340854 |