(1R,5S,8Z,10E,14S,17S,18S,21R,22R,26S,29Z,31E,35S,38S,39S,42R)-1,2,14,22,23,35-hexahydroxy-5,17,21,26,38,42-hexamethyl-4,25,43,44-tetraoxatricyclo[37.3.1.118,22]tetratetraconta-8,10,29,31-tetraene-3,16,24,37-tetrone
| Internal ID | 009f19a8-b79e-41f9-8659-16bebe8ee3d6 |
| Taxonomy | Phenylpropanoids and polyketides > Macrolides and analogues |
| IUPAC Name | (1R,5S,8Z,10E,14S,17S,18S,21R,22R,26S,29Z,31E,35S,38S,39S,42R)-1,2,14,22,23,35-hexahydroxy-5,17,21,26,38,42-hexamethyl-4,25,43,44-tetraoxatricyclo[37.3.1.118,22]tetratetraconta-8,10,29,31-tetraene-3,16,24,37-tetrone |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C46H72O14/c1-29-23-25-39-33(5)37(49)27-35(47)21-17-13-10-8-12-16-20-32(4)58-44(54)42(52)46(56)30(2)24-26-40(60-46)34(6)38(50)28-36(48)22-18-14-9-7-11-15-19-31(3)57-43(53)41(51)45(29,55)59-39/h7-14,29-36,39-42,47-48,51-52,55-56H,15-28H2,1-6H3/b11-7-,12-8-,13-10+,14-9+/t29-,30-,31+,32+,33-,34-,35+,36+,39+,40+,41?,42?,45-,46-/m1/s1 |
| InChI Key | XQJJKTZLLUVWBB-UDUAGMDDSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C46H72O14 |
| Molecular Weight | 849.10 g/mol |
| Exact Mass | 848.49220697 g/mol |
| Topological Polar Surface Area (TPSA) | 227.00 Ų |
| XlogP | 5.40 |
| SCHEMBL22489248 |
![2D Structure of (1R,5S,8Z,10E,14S,17S,18S,21R,22R,26S,29Z,31E,35S,38S,39S,42R)-1,2,14,22,23,35-hexahydroxy-5,17,21,26,38,42-hexamethyl-4,25,43,44-tetraoxatricyclo[37.3.1.118,22]tetratetraconta-8,10,29,31-tetraene-3,16,24,37-tetrone](https://plantaedb.com/storage/docs/compounds/2023/11/6ed228a0-8654-11ee-8fce-49c56981504f.jpg "2D Structure of (1R,5S,8Z,10E,14S,17S,18S,21R,22R,26S,29Z,31E,35S,38S,39S,42R)-1,2,14,22,23,35-hexahydroxy-5,17,21,26,38,42-hexamethyl-4,25,43,44-tetraoxatricyclo[37.3.1.118,22]tetratetraconta-8,10,29,31-tetraene-3,16,24,37-tetrone")
| 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 | 93.62% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.74% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 89.42% | 96.09% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 84.68% | 92.94% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.10% | 97.09% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.72% | 95.89% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 83.37% | 85.14% |
| CHEMBL2581 | P07339 | Cathepsin D | 83.36% | 98.95% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.60% | 100.00% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 82.33% | 97.05% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 80.09% | 94.00% |
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 | 46880971 |
| LOTUS | LTS0069280 |
| wikiData | Q104401228 |