8,16-Bis[4-[4-(4,5-dihydroxy-6-methyloxan-2-yl)oxy-5-ethyl-2-methoxy-6-methyloxan-2-yl]-3-hydroxypentan-2-yl]-7,15-dimethyl-1,9-dioxacyclohexadeca-3,5,11,13-tetraene-2,10-dione
| Internal ID | 6bf4f763-05c6-4dbe-8caa-b743c9f2daa3 |
| Taxonomy | Phenylpropanoids and polyketides > Macrolides and analogues |
| IUPAC Name | 8,16-bis[4-[4-(4,5-dihydroxy-6-methyloxan-2-yl)oxy-5-ethyl-2-methoxy-6-methyloxan-2-yl]-3-hydroxypentan-2-yl]-7,15-dimethyl-1,9-dioxacyclohexadeca-3,5,11,13-tetraene-2,10-dione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C56H92O18/c1-15-39-35(9)73-55(65-13,27-43(39)69-47-25-41(57)51(63)37(11)67-47)33(7)49(61)31(5)53-29(3)21-17-19-24-46(60)72-54(30(4)22-18-20-23-45(59)71-53)32(6)50(62)34(8)56(66-14)28-44(40(16-2)36(10)74-56)70-48-26-42(58)52(64)38(12)68-48/h17-24,29-44,47-54,57-58,61-64H,15-16,25-28H2,1-14H3 |
| InChI Key | BQBQRISTBZWETD-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C56H92O18 |
| Molecular Weight | 1053.30 g/mol |
| Exact Mass | 1052.62836608 g/mol |
| Topological Polar Surface Area (TPSA) | 248.00 Ų |
| XlogP | 7.00 |
| There are no found synonyms. |
![2D Structure of 8,16-Bis[4-[4-(4,5-dihydroxy-6-methyloxan-2-yl)oxy-5-ethyl-2-methoxy-6-methyloxan-2-yl]-3-hydroxypentan-2-yl]-7,15-dimethyl-1,9-dioxacyclohexadeca-3,5,11,13-tetraene-2,10-dione](https://plantaedb.com/storage/docs/compounds/2023/11/1dafae10-8595-11ee-8456-3fab7a3f17bb.jpg "2D Structure of 8,16-Bis[4-[4-(4,5-dihydroxy-6-methyloxan-2-yl)oxy-5-ethyl-2-methoxy-6-methyloxan-2-yl]-3-hydroxypentan-2-yl]-7,15-dimethyl-1,9-dioxacyclohexadeca-3,5,11,13-tetraene-2,10-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 | 99.22% | 85.14% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.36% | 91.11% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 97.96% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.85% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.52% | 94.45% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.51% | 97.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.01% | 98.95% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 86.33% | 96.61% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 86.26% | 96.77% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 85.37% | 90.17% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 84.85% | 97.14% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.58% | 89.00% |
| CHEMBL1871 | P10275 | Androgen Receptor | 84.55% | 96.43% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 84.40% | 91.07% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 84.28% | 94.73% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.16% | 95.89% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.33% | 99.23% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 83.32% | 98.59% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.83% | 86.33% |
| CHEMBL3713062 | P10646 | Tissue factor pathway inhibitor | 82.70% | 97.33% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 81.40% | 96.95% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 80.27% | 100.00% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 80.24% | 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.
| There are no matching plants. |
| PubChem | 85125410 |
| LOTUS | LTS0194985 |
| wikiData | Q103816923 |