13,23,24-Trihydroxy-5-methoxy-12,12-dimethyl-9-(2-methylprop-1-enyl)-10,11-dioxa-8,15,21-triazahexacyclo[12.10.1.02,7.08,25.015,23.017,21]pentacosa-1(25),2(7),3,5-tetraene-16,22-dione
| Internal ID | da23ab15-0476-45cc-836e-01b06da7a8be |
| Taxonomy | Organoheterocyclic compounds > Indoles and derivatives > Pyridoindoles > Beta carbolines |
| IUPAC Name | 13,23,24-trihydroxy-5-methoxy-12,12-dimethyl-9-(2-methylprop-1-enyl)-10,11-dioxa-8,15,21-triazahexacyclo[12.10.1.02,7.08,25.015,23.017,21]pentacosa-1(25),2(7),3,5-tetraene-16,22-dione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C27H33N3O8/c1-13(2)11-18-29-17-12-14(36-5)8-9-15(17)19-20(29)21(23(32)26(3,4)38-37-18)30-24(33)16-7-6-10-28(16)25(34)27(30,35)22(19)31/h8-9,11-12,16,18,21-23,31-32,35H,6-7,10H2,1-5H3 |
| InChI Key | DIIPCTMZAPQKGG-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C27H33N3O8 |
| Molecular Weight | 527.60 g/mol |
| Exact Mass | 527.22676502 g/mol |
| Topological Polar Surface Area (TPSA) | 134.00 Ų |
| XlogP | 0.80 |
| There are no found synonyms. |
![2D Structure of 13,23,24-Trihydroxy-5-methoxy-12,12-dimethyl-9-(2-methylprop-1-enyl)-10,11-dioxa-8,15,21-triazahexacyclo[12.10.1.02,7.08,25.015,23.017,21]pentacosa-1(25),2(7),3,5-tetraene-16,22-dione](https://plantaedb.com/storage/docs/compounds/2023/11/828377c0-865b-11ee-8b1e-2fb632a762f2.jpg "2D Structure of 13,23,24-Trihydroxy-5-methoxy-12,12-dimethyl-9-(2-methylprop-1-enyl)-10,11-dioxa-8,15,21-triazahexacyclo[12.10.1.02,7.08,25.015,23.017,21]pentacosa-1(25),2(7),3,5-tetraene-16,22-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 | 99.08% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 96.96% | 95.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.53% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.08% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.82% | 96.09% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 95.19% | 95.89% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 95.13% | 97.05% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 94.89% | 93.40% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.72% | 86.33% |
| CHEMBL1871 | P10275 | Androgen Receptor | 91.97% | 96.43% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.23% | 89.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 88.57% | 90.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 86.52% | 94.00% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 86.15% | 92.94% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 85.15% | 99.18% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 84.33% | 92.62% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 83.58% | 91.03% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.51% | 97.09% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 82.90% | 82.38% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 82.60% | 85.14% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 80.97% | 91.07% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 80.92% | 93.00% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 80.90% | 93.31% |
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 | 163065368 |
| LOTUS | LTS0051338 |
| wikiData | Q103818417 |