(12,14,31,33-Tetraacetyloxy-4,8,18,27-tetramethyl-2,6,16,20,25-pentaoxo-3,7,17,21,26-pentaoxatricyclo[27.4.0.010,15]tritriaconta-1(29),10(15),11,13,30,32-hexaen-23-yl) acetate
| Internal ID | f5671b1f-c17e-4c55-ba61-8331e8b63112 |
| Taxonomy | Phenylpropanoids and polyketides > Macrolides and analogues |
| IUPAC Name | (12,14,31,33-tetraacetyloxy-4,8,18,27-tetramethyl-2,6,16,20,25-pentaoxo-3,7,17,21,26-pentaoxatricyclo[27.4.0.010,15]tritriaconta-1(29),10(15),11,13,30,32-hexaen-23-yl) acetate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C42H48O20/c1-20-10-29-14-31(58-24(5)43)16-34(61-27(8)46)39(29)41(51)56-22(3)12-36(48)53-19-33(60-26(7)45)18-38(50)55-21(2)11-30-15-32(59-25(6)44)17-35(62-28(9)47)40(30)42(52)57-23(4)13-37(49)54-20/h14-17,20-23,33H,10-13,18-19H2,1-9H3 |
| InChI Key | FFNMLCFKTIYAOS-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C42H48O20 |
| Molecular Weight | 872.80 g/mol |
| Exact Mass | 872.27389392 g/mol |
| Topological Polar Surface Area (TPSA) | 263.00 Ų |
| XlogP | 3.80 |
| There are no found synonyms. |
![2D Structure of (12,14,31,33-Tetraacetyloxy-4,8,18,27-tetramethyl-2,6,16,20,25-pentaoxo-3,7,17,21,26-pentaoxatricyclo[27.4.0.010,15]tritriaconta-1(29),10(15),11,13,30,32-hexaen-23-yl) acetate](https://plantaedb.com/storage/docs/compounds/2023/11/43b0f530-8666-11ee-8db2-7944f219a990.jpg "2D Structure of (12,14,31,33-Tetraacetyloxy-4,8,18,27-tetramethyl-2,6,16,20,25-pentaoxo-3,7,17,21,26-pentaoxatricyclo[27.4.0.010,15]tritriaconta-1(29),10(15),11,13,30,32-hexaen-23-yl) acetate")
| 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 | 97.82% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.20% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.28% | 95.56% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 92.44% | 89.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.78% | 94.45% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.06% | 86.33% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 87.77% | 91.19% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.79% | 99.23% |
| CHEMBL1966 | Q02127 | Dihydroorotate dehydrogenase | 84.89% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 83.95% | 99.17% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 82.88% | 94.80% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 82.10% | 96.09% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 81.94% | 91.49% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 80.32% | 91.07% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 80.24% | 94.73% |
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 | 162913517 |
| LOTUS | LTS0075084 |
| wikiData | Q103818966 |