(1S,17S,29R)-29-hydroxy-9,24-dioxo-16-oxa-4,11,19,26-tetrazaheptacyclo[15.11.1.02,15.03,12.05,10.018,27.020,25]nonacosa-2(15),3(12),5,7,10,13,18(27),20,22,25-decaene-13-carboxylic acid
| Internal ID | aa77bb49-0b4c-471a-95b1-9920d4a800bb |
| Taxonomy | Organoheterocyclic compounds > Diazanaphthalenes > Benzodiazines > Quinoxalines > Phenazines and derivatives |
| IUPAC Name | (1S,17S,29R)-29-hydroxy-9,24-dioxo-16-oxa-4,11,19,26-tetrazaheptacyclo[15.11.1.02,15.03,12.05,10.018,27.020,25]nonacosa-2(15),3(12),5,7,10,13,18(27),20,22,25-decaene-13-carboxylic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C25H16N4O6/c30-14-5-1-3-11-19(14)28-13-7-9-17-16(35-24(23(9)32)21(13)26-11)8-10(25(33)34)18-22(17)27-12-4-2-6-15(31)20(12)29-18/h1-6,8-9,23-24,26-27,32H,7H2,(H,33,34)/t9-,23+,24-/m0/s1 |
| InChI Key | ODUAQNULSMVXAH-DAYDZAPOSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C25H16N4O6 |
| Molecular Weight | 468.40 g/mol |
| Exact Mass | 468.10698424 g/mol |
| Topological Polar Surface Area (TPSA) | 150.00 Ų |
| XlogP | 0.60 |
| There are no found synonyms. |
![2D Structure of (1S,17S,29R)-29-hydroxy-9,24-dioxo-16-oxa-4,11,19,26-tetrazaheptacyclo[15.11.1.02,15.03,12.05,10.018,27.020,25]nonacosa-2(15),3(12),5,7,10,13,18(27),20,22,25-decaene-13-carboxylic acid](https://plantaedb.com/storage/docs/compounds/2023/11/0a8394e0-855c-11ee-970e-afcf92668d7b.jpg "2D Structure of (1S,17S,29R)-29-hydroxy-9,24-dioxo-16-oxa-4,11,19,26-tetrazaheptacyclo[15.11.1.02,15.03,12.05,10.018,27.020,25]nonacosa-2(15),3(12),5,7,10,13,18(27),20,22,25-decaene-13-carboxylic 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 |
|---|---|---|---|---|
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 99.40% | 83.82% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 97.22% | 99.23% |
| CHEMBL2535 | P11166 | Glucose transporter | 90.30% | 98.75% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 89.73% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 88.99% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.72% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.70% | 86.33% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 87.01% | 91.11% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 84.59% | 90.71% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 83.27% | 85.14% |
| CHEMBL1293277 | O15118 | Niemann-Pick C1 protein | 82.97% | 81.11% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 82.71% | 94.00% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 82.23% | 85.11% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 82.17% | 97.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 80.76% | 94.45% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 80.63% | 98.59% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 80.50% | 93.00% |
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 | 53359288 |
| LOTUS | LTS0219098 |
| wikiData | Q105190039 |