26-(1,2-Dihydroxyethyl)-4,11,24-trihydroxy-25-oxa-16-azahexacyclo[15.7.2.01,26.02,15.05,14.07,12]hexacosa-2,4,7(12),8,10,14,20-heptaen-18,22-diyne-6,13-dione
| Internal ID | 9c7730c3-47d6-45c8-8bcf-608d4ba0d03a |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Hydroxysteroids > 6-hydroxysteroids |
| IUPAC Name | 26-(1,2-dihydroxyethyl)-4,11,24-trihydroxy-25-oxa-16-azahexacyclo[15.7.2.01,26.02,15.05,14.07,12]hexacosa-2,4,7(12),8,10,14,20-heptaen-18,22-diyne-6,13-dione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C26H17NO8/c28-11-18(32)26-16-8-3-1-2-4-9-17(31)25(26,35-26)13-10-15(30)20-21(22(13)27-16)24(34)19-12(23(20)33)6-5-7-14(19)29/h1-2,5-7,10,16-18,27-32H,11H2 |
| InChI Key | BUWSAXYRPMZMDH-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C26H17NO8 |
| Molecular Weight | 471.40 g/mol |
| Exact Mass | 471.09541650 g/mol |
| Topological Polar Surface Area (TPSA) | 160.00 Ų |
| XlogP | 1.30 |
| There are no found synonyms. |
![2D Structure of 26-(1,2-Dihydroxyethyl)-4,11,24-trihydroxy-25-oxa-16-azahexacyclo[15.7.2.01,26.02,15.05,14.07,12]hexacosa-2,4,7(12),8,10,14,20-heptaen-18,22-diyne-6,13-dione](https://plantaedb.com/storage/docs/compounds/2023/11/27b7d4f0-8657-11ee-8cfe-afd1c80635d5.jpg "2D Structure of 26-(1,2-Dihydroxyethyl)-4,11,24-trihydroxy-25-oxa-16-azahexacyclo[15.7.2.01,26.02,15.05,14.07,12]hexacosa-2,4,7(12),8,10,14,20-heptaen-18,22-diyne-6,13-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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.94% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.16% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.57% | 95.56% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 94.42% | 93.40% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.56% | 96.09% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 92.97% | 89.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 92.83% | 94.73% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 91.73% | 99.15% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 90.12% | 96.38% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.68% | 97.09% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 88.87% | 95.93% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 88.42% | 92.88% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 85.80% | 82.69% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.76% | 99.23% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 85.54% | 90.71% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 85.33% | 94.75% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 83.69% | 93.03% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 83.45% | 96.67% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 81.21% | 85.11% |
| CHEMBL3004 | P33527 | Multidrug resistance-associated protein 1 | 80.78% | 96.37% |
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.
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| There are no matching plants. |
| PubChem | 163000013 |
| LOTUS | LTS0127639 |
| wikiData | Q103817038 |