7-(2-Hydroxypropan-2-yl)-1,2-dimethyl-6-oxa-23-azahexacyclo[12.10.0.02,11.05,10.016,24.017,22]tetracosa-16(24),17,19,21-tetraene-8,9,10-triol
| Internal ID | 10fd9081-0060-44ef-88dc-623f27317cde |
| Taxonomy | Organoheterocyclic compounds > Naphthopyrans |
| IUPAC Name | 7-(2-hydroxypropan-2-yl)-1,2-dimethyl-6-oxa-23-azahexacyclo[12.10.0.02,11.05,10.016,24.017,22]tetracosa-16(24),17,19,21-tetraene-8,9,10-triol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C27H37NO5/c1-24(2,31)23-20(29)22(30)27(32)18-10-9-14-13-16-15-7-5-6-8-17(15)28-21(16)26(14,4)25(18,3)12-11-19(27)33-23/h5-8,14,18-20,22-23,28-32H,9-13H2,1-4H3 |
| InChI Key | LQDPZVYIZKOAPV-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C27H37NO5 |
| Molecular Weight | 455.60 g/mol |
| Exact Mass | 455.26717328 g/mol |
| Topological Polar Surface Area (TPSA) | 106.00 Ų |
| XlogP | 3.30 |
| There are no found synonyms. |
![2D Structure of 7-(2-Hydroxypropan-2-yl)-1,2-dimethyl-6-oxa-23-azahexacyclo[12.10.0.02,11.05,10.016,24.017,22]tetracosa-16(24),17,19,21-tetraene-8,9,10-triol](https://plantaedb.com/storage/docs/compounds/2023/11/8029bc90-86c2-11ee-9b85-b5f15371aa74.jpg "2D Structure of 7-(2-Hydroxypropan-2-yl)-1,2-dimethyl-6-oxa-23-azahexacyclo[12.10.0.02,11.05,10.016,24.017,22]tetracosa-16(24),17,19,21-tetraene-8,9,10-triol")
| 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 | 99.15% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.19% | 95.56% |
| CHEMBL216 | P11229 | Muscarinic acetylcholine receptor M1 | 92.43% | 94.23% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.36% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.96% | 94.45% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 91.48% | 97.25% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 91.40% | 89.00% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 91.02% | 94.62% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.01% | 97.09% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.79% | 96.09% |
| CHEMBL2959 | Q08881 | Tyrosine-protein kinase ITK/TSK | 88.18% | 95.00% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 87.95% | 88.56% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 87.48% | 93.99% |
| CHEMBL2535 | P11166 | Glucose transporter | 86.72% | 98.75% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 86.71% | 94.00% |
| CHEMBL2095226 | P05556 | Integrin alpha-5/beta-1 | 86.42% | 96.39% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 86.08% | 91.71% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 84.97% | 97.14% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 84.22% | 85.14% |
| CHEMBL3475 | P05121 | Plasminogen activator inhibitor-1 | 83.97% | 83.00% |
| CHEMBL1914 | P06276 | Butyrylcholinesterase | 83.53% | 95.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.27% | 95.89% |
| CHEMBL5028 | O14672 | ADAM10 | 82.35% | 97.50% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.18% | 100.00% |
| CHEMBL3920 | Q04759 | Protein kinase C theta | 82.16% | 97.69% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 81.44% | 92.62% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 81.29% | 95.71% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 81.07% | 97.05% |
| CHEMBL4145 | Q9UKV0 | Histone deacetylase 9 | 80.97% | 85.49% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 80.28% | 97.79% |
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 | 78167114 |
| LOTUS | LTS0072758 |
| wikiData | Q104171204 |