11-Hydroxy-7-(2-hydroxypropan-2-yl)-1,2-dimethyl-19-(3-methylbut-2-enyl)-6-oxa-23-azahexacyclo[12.10.0.02,11.05,10.016,24.017,22]tetracosa-9,16(24),17(22),18,20-pentaen-8-one
| Internal ID | 6a0a3e5a-a4ac-465e-acd6-ec2552fd7021 |
| Taxonomy | Organoheterocyclic compounds > Naphthopyrans |
| IUPAC Name | 11-hydroxy-7-(2-hydroxypropan-2-yl)-1,2-dimethyl-19-(3-methylbut-2-enyl)-6-oxa-23-azahexacyclo[12.10.0.02,11.05,10.016,24.017,22]tetracosa-9,16(24),17(22),18,20-pentaen-8-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C32H41NO4/c1-18(2)7-8-19-9-10-24-21(15-19)22-16-20-11-14-32(36)23-17-25(34)28(29(3,4)35)37-26(23)12-13-30(32,5)31(20,6)27(22)33-24/h7,9-10,15,17,20,26,28,33,35-36H,8,11-14,16H2,1-6H3 |
| InChI Key | SJIZYQLZTLQSKI-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C32H41NO4 |
| Molecular Weight | 503.70 g/mol |
| Exact Mass | 503.30355879 g/mol |
| Topological Polar Surface Area (TPSA) | 82.60 Ų |
| XlogP | 5.40 |
| There are no found synonyms. |
![2D Structure of 11-Hydroxy-7-(2-hydroxypropan-2-yl)-1,2-dimethyl-19-(3-methylbut-2-enyl)-6-oxa-23-azahexacyclo[12.10.0.02,11.05,10.016,24.017,22]tetracosa-9,16(24),17(22),18,20-pentaen-8-one](https://plantaedb.com/storage/docs/compounds/2023/11/ecee8a90-83a8-11ee-8afb-9f3c84652987.jpg "2D Structure of 11-Hydroxy-7-(2-hydroxypropan-2-yl)-1,2-dimethyl-19-(3-methylbut-2-enyl)-6-oxa-23-azahexacyclo[12.10.0.02,11.05,10.016,24.017,22]tetracosa-9,16(24),17(22),18,20-pentaen-8-one")
| 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 | 99.63% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 99.25% | 94.45% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 98.26% | 85.14% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.25% | 98.95% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 94.67% | 97.25% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 94.52% | 95.89% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 93.38% | 97.05% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 93.16% | 91.49% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.13% | 95.56% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 92.05% | 89.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.54% | 96.09% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 88.45% | 92.94% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 87.85% | 89.34% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.10% | 97.09% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.96% | 100.00% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 86.42% | 98.59% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 85.61% | 93.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 85.07% | 98.75% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 84.60% | 94.73% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 84.58% | 93.04% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 84.47% | 92.62% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 84.39% | 94.00% |
| CHEMBL3430907 | Q96GD4 | Aurora kinase B/Inner centromere protein | 83.69% | 97.50% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 83.49% | 93.99% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.48% | 86.33% |
| CHEMBL2959 | Q08881 | Tyrosine-protein kinase ITK/TSK | 82.80% | 95.00% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 82.59% | 96.90% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 82.45% | 97.28% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 82.43% | 93.40% |
| CHEMBL4145 | Q9UKV0 | Histone deacetylase 9 | 81.24% | 85.49% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 80.94% | 95.71% |
| CHEMBL2094127 | P06493 | Cyclin-dependent kinase 1/cyclin B | 80.89% | 96.00% |
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 | 85104141 |
| LOTUS | LTS0069751 |
| wikiData | Q104197353 |