7,22-Dihydroxy-8-[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-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 | 77b216b1-fef5-44f5-9b69-4b9d2a80f9d7 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Oligosaccharides |
| IUPAC Name | 7,22-dihydroxy-8-[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-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(CC3OC)OC4CC5=CCC6C(C5(CC4O)C)CCC7=COC8(C7(C(CO8)OC6=O)O)C)C)C)OC)O |
| SMILES (Isomeric) | CC1C(C(CC(O1)OC2C(OC(CC2O)OC3C(OC(CC3OC)OC4CC5=CCC6C(C5(CC4O)C)CCC7=COC8(C7(C(CO8)OC6=O)O)C)C)C)OC)O |
| InChI | InChI=1S/C41H62O16/c1-19-35(44)29(47-6)14-34(51-19)56-36-20(2)52-32(13-26(36)42)57-37-21(3)53-33(15-30(37)48-7)54-28-12-22-8-10-24-25(39(22,4)16-27(28)43)11-9-23-17-49-40(5)41(23,46)31(18-50-40)55-38(24)45/h8,17,19-21,24-37,42-44,46H,9-16,18H2,1-7H3 |
| InChI Key | JMLUQNLKDNOKLQ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C41H62O16 |
| Molecular Weight | 810.90 g/mol |
| Exact Mass | 810.40378589 g/mol |
| Topological Polar Surface Area (TPSA) | 200.00 Ų |
| XlogP | 0.70 |
| There are no found synonyms. |
![2D Structure of 7,22-Dihydroxy-8-[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-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/2023/11/157c63f0-85ed-11ee-9401-b9224f4b359b.jpg "2D Structure of 7,22-Dihydroxy-8-[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-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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.70% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 98.61% | 85.14% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.12% | 96.09% |
| CHEMBL1914 | P06276 | Butyrylcholinesterase | 96.82% | 95.00% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 95.00% | 83.82% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 94.38% | 97.09% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 93.93% | 100.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 91.25% | 89.00% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 89.51% | 95.89% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 89.29% | 94.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 89.27% | 95.89% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.22% | 95.56% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 88.13% | 99.23% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 88.12% | 97.25% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 86.89% | 96.77% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 86.76% | 92.50% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 86.68% | 97.14% |
| CHEMBL3713062 | P10646 | Tissue factor pathway inhibitor | 86.51% | 97.33% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.38% | 86.33% |
| CHEMBL1871 | P10275 | Androgen Receptor | 83.40% | 96.43% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 83.02% | 92.62% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 81.56% | 95.71% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 81.55% | 94.45% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 81.32% | 96.95% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 80.18% | 97.05% |
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 atratum |
| PubChem | 72750090 |
| LOTUS | LTS0127440 |
| wikiData | Q105131518 |