7-Hydroxy-8-[4-hydroxy-5-[4-hydroxy-5-(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(21),10-dien-14-one
| Internal ID | 23668727-1f26-41c5-93cb-d200bfc14b00 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Oligosaccharides |
| IUPAC Name | 7-hydroxy-8-[4-hydroxy-5-[4-hydroxy-5-(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(21),10-dien-14-one |
| SMILES (Canonical) | CC1C(C(CC(O1)OC2C(OC(CC2O)OC3C(OC(CC3O)OC4CC5=CCC6C(C5(CC4O)C)CCC7=COC8(C7C(CO8)OC6=O)C)C)C)OC)O |
| SMILES (Isomeric) | CC1C(C(CC(O1)OC2C(OC(CC2O)OC3C(OC(CC3O)OC4CC5=CCC6C(C5(CC4O)C)CCC7=COC8(C7C(CO8)OC6=O)C)C)C)OC)O |
| InChI | InChI=1S/C40H60O15/c1-18-35(44)29(46-6)14-33(49-18)55-37-20(3)51-32(13-26(37)42)54-36-19(2)50-31(12-25(36)41)52-28-11-22-8-9-23-24(39(22,4)15-27(28)43)10-7-21-16-47-40(5)34(21)30(17-48-40)53-38(23)45/h8,16,18-20,23-37,41-44H,7,9-15,17H2,1-6H3 |
| InChI Key | WZDKOKHIPADHFK-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C40H60O15 |
| Molecular Weight | 780.90 g/mol |
| Exact Mass | 780.39322120 g/mol |
| Topological Polar Surface Area (TPSA) | 190.00 Ų |
| XlogP | 1.30 |
| There are no found synonyms. |
![2D Structure of 7-Hydroxy-8-[4-hydroxy-5-[4-hydroxy-5-(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(21),10-dien-14-one](https://plantaedb.com/storage/docs/compounds/2023/11/dc608080-83e7-11ee-be59-1595de4d4e77.jpg "2D Structure of 7-Hydroxy-8-[4-hydroxy-5-[4-hydroxy-5-(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(21),10-dien-14-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 |
|---|---|---|---|---|
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 98.82% | 85.14% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.32% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.44% | 96.09% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 91.79% | 89.00% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 91.26% | 100.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.17% | 97.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.25% | 94.45% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 88.76% | 99.23% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.10% | 95.56% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 86.66% | 97.14% |
| CHEMBL2581 | P07339 | Cathepsin D | 86.24% | 98.95% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 85.98% | 94.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.97% | 95.89% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 85.91% | 95.89% |
| CHEMBL3713062 | P10646 | Tissue factor pathway inhibitor | 85.79% | 97.33% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 85.78% | 96.77% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 85.66% | 97.25% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 85.48% | 92.50% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 85.05% | 95.50% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 83.76% | 92.62% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 80.44% | 95.93% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 80.14% | 86.33% |
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 | 73241667 |
| LOTUS | LTS0223511 |
| wikiData | Q105323032 |