11-Hydroxy-7-(2-hydroxypropan-2-yl)-1,2-dimethyl-6-oxa-23-azapentacyclo[12.10.0.02,11.05,10.017,22]tetracosa-9,17,19,21-tetraene-8,16,24-trione
| Internal ID | fa3a2f5f-3e2e-452b-a041-f549beabff17 |
| Taxonomy | Organoheterocyclic compounds > Naphthopyrans |
| IUPAC Name | 11-hydroxy-7-(2-hydroxypropan-2-yl)-1,2-dimethyl-6-oxa-23-azapentacyclo[12.10.0.02,11.05,10.017,22]tetracosa-9,17,19,21-tetraene-8,16,24-trione |
| SMILES (Canonical) | CC12CCC3C(=CC(=O)C(O3)C(C)(C)O)C1(CCC4C2(C(=O)NC5=CC=CC=C5C(=O)C4)C)O |
| SMILES (Isomeric) | CC12CCC3C(=CC(=O)C(O3)C(C)(C)O)C1(CCC4C2(C(=O)NC5=CC=CC=C5C(=O)C4)C)O |
| InChI | InChI=1S/C27H33NO6/c1-24(2,32)22-20(30)14-17-21(34-22)10-11-25(3)26(4)15(9-12-27(17,25)33)13-19(29)16-7-5-6-8-18(16)28-23(26)31/h5-8,14-15,21-22,32-33H,9-13H2,1-4H3,(H,28,31) |
| InChI Key | AKPZGWPNHHDCLR-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C27H33NO6 |
| Molecular Weight | 467.60 g/mol |
| Exact Mass | 467.23078777 g/mol |
| Topological Polar Surface Area (TPSA) | 113.00 Ų |
| XlogP | 1.70 |
| There are no found synonyms. |
![2D Structure of 11-Hydroxy-7-(2-hydroxypropan-2-yl)-1,2-dimethyl-6-oxa-23-azapentacyclo[12.10.0.02,11.05,10.017,22]tetracosa-9,17,19,21-tetraene-8,16,24-trione](https://plantaedb.com/storage/docs/compounds/2023/11/a7acc7f0-85ab-11ee-a119-476a7024ba8d.jpg "2D Structure of 11-Hydroxy-7-(2-hydroxypropan-2-yl)-1,2-dimethyl-6-oxa-23-azapentacyclo[12.10.0.02,11.05,10.017,22]tetracosa-9,17,19,21-tetraene-8,16,24-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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 98.33% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.25% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.94% | 98.95% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 96.66% | 85.14% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 96.01% | 95.56% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 95.68% | 82.69% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 93.61% | 99.23% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.00% | 97.09% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 90.63% | 89.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.00% | 96.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.11% | 86.33% |
| CHEMBL216 | P11229 | Muscarinic acetylcholine receptor M1 | 87.64% | 94.23% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.20% | 95.89% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.75% | 100.00% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 85.30% | 93.04% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 84.20% | 97.14% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 81.84% | 97.05% |
| CHEMBL3475 | P05121 | Plasminogen activator inhibitor-1 | 81.67% | 83.00% |
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 | 163024781 |
| LOTUS | LTS0079910 |
| wikiData | Q104913783 |