(1R,5S,8R,9R,13R,17S,18R,22S,25R,26S,30R,34S)-9,26-bis(carboxymethyl)-13,17,30,34-tetramethyl-4,21-dimethylidene-10,27-dioxo-7,11,24,28-tetraoxapentacyclo[28.4.0.05,34.013,18.017,22]tetratriacontane-8,25-dicarboxylic acid
| Internal ID | c3cbddb8-f930-40b3-9841-fe5c1f28d8f8 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Hexacarboxylic acids and derivatives |
| IUPAC Name | (1R,5S,8R,9R,13R,17S,18R,22S,25R,26S,30R,34S)-9,26-bis(carboxymethyl)-13,17,30,34-tetramethyl-4,21-dimethylidene-10,27-dioxo-7,11,24,28-tetraoxapentacyclo[28.4.0.05,34.013,18.017,22]tetratriacontane-8,25-dicarboxylic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C42H60O14/c1-23-9-11-29-39(3)13-7-15-41(29,5)27(23)19-53-33(35(47)48)25(17-31(43)44)37(51)56-22-40(4)14-8-16-42(6)28(24(2)10-12-30(40)42)20-54-34(36(49)50)26(18-32(45)46)38(52)55-21-39/h25-30,33-34H,1-2,7-22H2,3-6H3,(H,43,44)(H,45,46)(H,47,48)(H,49,50)/t25-,26+,27-,28-,29-,30-,33+,34+,39-,40-,41+,42+/m0/s1 |
| InChI Key | WMUCAJUQTYPNME-KNZBAOOQSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C42H60O14 |
| Molecular Weight | 788.90 g/mol |
| Exact Mass | 788.39830658 g/mol |
| Topological Polar Surface Area (TPSA) | 220.00 Ų |
| XlogP | 5.40 |
| There are no found synonyms. |
![2D Structure of (1R,5S,8R,9R,13R,17S,18R,22S,25R,26S,30R,34S)-9,26-bis(carboxymethyl)-13,17,30,34-tetramethyl-4,21-dimethylidene-10,27-dioxo-7,11,24,28-tetraoxapentacyclo[28.4.0.05,34.013,18.017,22]tetratriacontane-8,25-dicarboxylic acid](https://plantaedb.com/storage/docs/compounds/2023/11/42dfb8e0-848b-11ee-80c1-8f7dbb58b81b.jpg "2D Structure of (1R,5S,8R,9R,13R,17S,18R,22S,25R,26S,30R,34S)-9,26-bis(carboxymethyl)-13,17,30,34-tetramethyl-4,21-dimethylidene-10,27-dioxo-7,11,24,28-tetraoxapentacyclo[28.4.0.05,34.013,18.017,22]tetratriacontane-8,25-dicarboxylic acid")
| 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 | 94.91% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.43% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.45% | 95.56% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 91.32% | 97.25% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 90.96% | 91.49% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.91% | 94.45% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.81% | 97.09% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 87.26% | 100.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 86.84% | 99.23% |
| CHEMBL1293255 | P15428 | 15-hydroxyprostaglandin dehydrogenase [NAD+] | 85.92% | 83.57% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.73% | 86.33% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 84.31% | 91.19% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 84.13% | 93.00% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 83.71% | 98.10% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 82.84% | 92.62% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.39% | 89.00% |
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 | 163195541 |
| LOTUS | LTS0133049 |
| wikiData | Q105308839 |