11,21,29-Trihydroxy-16-oxa-6,13,19,26-tetrazaheptacyclo[15.11.1.02,15.05,14.07,12.018,27.020,25]nonacosa-2(15),3,5,7,9,11,13,18,20(25),21,23,26-dodecaene-8-carboxylic acid
| Internal ID | d3ecac22-4051-4028-8b54-0254d94ebdb5 |
| Taxonomy | Organoheterocyclic compounds > Diazanaphthalenes > Benzodiazines > Quinoxalines > Phenazines and derivatives |
| IUPAC Name | 11,21,29-trihydroxy-16-oxa-6,13,19,26-tetrazaheptacyclo[15.11.1.02,15.05,14.07,12.018,27.020,25]nonacosa-2(15),3,5,7,9,11,13,18,20(25),21,23,26-dodecaene-8-carboxylic acid |
| SMILES (Canonical) | C1C2C(C(C3=NC4=C(C=CC=C4O)N=C31)OC5=C2C=CC6=NC7=C(C=CC(=C7N=C65)O)C(=O)O)O |
| SMILES (Isomeric) | C1C2C(C(C3=NC4=C(C=CC=C4O)N=C31)OC5=C2C=CC6=NC7=C(C=CC(=C7N=C65)O)C(=O)O)O |
| InChI | InChI=1S/C25H16N4O6/c30-15-3-1-2-12-18(15)28-20-14(26-12)8-11-9-4-6-13-19(23(9)35-24(20)22(11)32)29-21-16(31)7-5-10(25(33)34)17(21)27-13/h1-7,11,22,24,30-32H,8H2,(H,33,34) |
| InChI Key | GTOOBNVUAQLCTL-UHFFFAOYSA-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) | 159.00 Ų |
| XlogP | 1.50 |
| There are no found synonyms. |
![2D Structure of 11,21,29-Trihydroxy-16-oxa-6,13,19,26-tetrazaheptacyclo[15.11.1.02,15.05,14.07,12.018,27.020,25]nonacosa-2(15),3,5,7,9,11,13,18,20(25),21,23,26-dodecaene-8-carboxylic acid](https://plantaedb.com/storage/docs/compounds/2023/11/33045390-858f-11ee-9ac0-31ffe4ef3481.jpg "2D Structure of 11,21,29-Trihydroxy-16-oxa-6,13,19,26-tetrazaheptacyclo[15.11.1.02,15.05,14.07,12.018,27.020,25]nonacosa-2(15),3,5,7,9,11,13,18,20(25),21,23,26-dodecaene-8-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 |
|---|---|---|---|---|
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 97.21% | 99.23% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.47% | 95.56% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.46% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 90.40% | 85.14% |
| CHEMBL2581 | P07339 | Cathepsin D | 88.91% | 98.95% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 88.06% | 93.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.50% | 86.33% |
| CHEMBL1293294 | P51151 | Ras-related protein Rab-9A | 85.05% | 87.67% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 83.42% | 94.73% |
| CHEMBL2535 | P11166 | Glucose transporter | 83.16% | 98.75% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 83.14% | 96.09% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 82.53% | 99.15% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 81.50% | 100.00% |
| CHEMBL5284 | Q96RR4 | CaM-kinase kinase beta | 81.01% | 89.23% |
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 | 162814232 |
| LOTUS | LTS0121346 |
| wikiData | Q104167470 |