(2S,5R,10S,11R,13R,15S,20S)-7-amino-2,5,11,15,19,19-hexamethyl-6,8-diazapentacyclo[12.8.0.02,11.05,10.015,20]docosa-1(14),7-dien-13-ol
| Internal ID | 376c851b-b09f-403d-8da8-c63d517f669a |
| Taxonomy | Organoheterocyclic compounds > Diazanaphthalenes > Benzodiazines > Quinazolines |
| IUPAC Name | (2S,5R,10S,11R,13R,15S,20S)-7-amino-2,5,11,15,19,19-hexamethyl-6,8-diazapentacyclo[12.8.0.02,11.05,10.015,20]docosa-1(14),7-dien-13-ol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C26H43N3O/c1-22(2)10-7-11-23(3)18(22)9-8-16-20(23)17(30)14-25(5)19-15-28-21(27)29-26(19,6)13-12-24(16,25)4/h17-19,30H,7-15H2,1-6H3,(H3,27,28,29)/t17-,18+,19-,23+,24-,25-,26-/m1/s1 |
| InChI Key | RQEHMIXSAUDXKZ-PVQKCIGPSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C26H43N3O |
| Molecular Weight | 413.60 g/mol |
| Exact Mass | 413.340613004 g/mol |
| Topological Polar Surface Area (TPSA) | 70.60 Ų |
| XlogP | 4.20 |
| There are no found synonyms. |
![2D Structure of (2S,5R,10S,11R,13R,15S,20S)-7-amino-2,5,11,15,19,19-hexamethyl-6,8-diazapentacyclo[12.8.0.02,11.05,10.015,20]docosa-1(14),7-dien-13-ol](https://plantaedb.com/storage/docs/compounds/2023/11/bd54bec0-85b3-11ee-8f2b-b9b54148deea.jpg "2D Structure of (2S,5R,10S,11R,13R,15S,20S)-7-amino-2,5,11,15,19,19-hexamethyl-6,8-diazapentacyclo[12.8.0.02,11.05,10.015,20]docosa-1(14),7-dien-13-ol")
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.29% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 94.79% | 97.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.66% | 94.45% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 90.78% | 100.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 88.85% | 91.11% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 88.80% | 94.75% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.57% | 95.89% |
| CHEMBL3746 | P80365 | 11-beta-hydroxysteroid dehydrogenase 2 | 87.86% | 94.78% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 87.54% | 95.50% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 87.41% | 97.25% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 84.92% | 92.94% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.83% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 84.59% | 98.95% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 83.20% | 82.69% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 80.75% | 90.08% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 80.26% | 100.00% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 80.23% | 91.03% |
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 | 139051842 |
| LOTUS | LTS0084866 |
| wikiData | Q105243272 |