12'-(hydroxymethyl)spiro[1H-indole-3,16'-2,10,13-triazatetracyclo[10.2.2.02,11.04,9]hexadeca-4,6,8,10-tetraene]-2,3',14'-trione
| Internal ID | 40a60cfe-e569-438e-a02b-508f466357a5 |
| Taxonomy | Organoheterocyclic compounds > Pyridopyrimidines |
| IUPAC Name | 12'-(hydroxymethyl)spiro[1H-indole-3,16'-2,10,13-triazatetracyclo[10.2.2.02,11.04,9]hexadeca-4,6,8,10-tetraene]-2,3',14'-trione |
| SMILES (Canonical) | C1C2C(=O)NC(C13C4=CC=CC=C4NC3=O)(C5=NC6=CC=CC=C6C(=O)N25)CO |
| SMILES (Isomeric) | C1C2C(=O)NC(C13C4=CC=CC=C4NC3=O)(C5=NC6=CC=CC=C6C(=O)N25)CO |
| InChI | InChI=1S/C21H16N4O4/c26-10-21-18-22-13-7-3-1-5-11(13)17(28)25(18)15(16(27)24-21)9-20(21)12-6-2-4-8-14(12)23-19(20)29/h1-8,15,26H,9-10H2,(H,23,29)(H,24,27) |
| InChI Key | XDRBDKVSHABELK-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H16N4O4 |
| Molecular Weight | 388.40 g/mol |
| Exact Mass | 388.11715500 g/mol |
| Topological Polar Surface Area (TPSA) | 111.00 Ų |
| XlogP | -0.20 |
| There are no found synonyms. |
![2D Structure of 12'-(hydroxymethyl)spiro[1H-indole-3,16'-2,10,13-triazatetracyclo[10.2.2.02,11.04,9]hexadeca-4,6,8,10-tetraene]-2,3',14'-trione](https://plantaedb.com/storage/docs/compounds/2023/11/e2f2a420-85e1-11ee-bb74-732a58d342e4.jpg "2D Structure of 12'-(hydroxymethyl)spiro[1H-indole-3,16'-2,10,13-triazatetracyclo[10.2.2.02,11.04,9]hexadeca-4,6,8,10-tetraene]-2,3',14'-trione")
| 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 |
|---|---|---|---|---|
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 97.65% | 94.62% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.96% | 96.09% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 95.13% | 99.23% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.24% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.09% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 89.54% | 91.11% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.28% | 86.33% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 87.14% | 90.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 85.85% | 94.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.60% | 97.09% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 85.25% | 94.75% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 84.17% | 85.14% |
| CHEMBL5805 | Q9NR97 | Toll-like receptor 8 | 84.07% | 96.25% |
| CHEMBL216 | P11229 | Muscarinic acetylcholine receptor M1 | 83.56% | 94.23% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 82.06% | 98.59% |
| CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 81.27% | 95.83% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 80.70% | 91.71% |
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 | 10178332 |
| LOTUS | LTS0082950 |
| wikiData | Q104200872 |