(2S,6R,10S,11S)-11-[(E)-but-1-en-3-ynyl]-2-[(E)-pent-2-en-4-ynyl]-1-azaspiro[5.5]undecan-10-ol
| Internal ID | 8c09930f-195a-4053-902e-8e2437ae3399 |
| Taxonomy | Alkaloids and derivatives > Histrionicotoxins |
| IUPAC Name | (2S,6R,10S,11S)-11-[(E)-but-1-en-3-ynyl]-2-[(E)-pent-2-en-4-ynyl]-1-azaspiro[5.5]undecan-10-ol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C19H25NO/c1-3-5-7-10-16-11-8-14-19(20-16)15-9-13-18(21)17(19)12-6-4-2/h1-2,5-7,12,16-18,20-21H,8-11,13-15H2/b7-5+,12-6+/t16-,17-,18+,19-/m1/s1 |
| InChI Key | JBRYWENFVHQBGY-GFSCOHCQSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C19H25NO |
| Molecular Weight | 283.40 g/mol |
| Exact Mass | 283.193614421 g/mol |
| Topological Polar Surface Area (TPSA) | 32.30 Ų |
| XlogP | 3.10 |
| C13683 |
| (2S,6R,10S,11S)-11-[(E)-but-1-en-3-ynyl]-2-[(E)-pent-2-en-4-ynyl]-1-azaspiro[5.5]undecan-10-ol |
| AC1NQZPY |
| Q27116275 |
| (2S,6R,7S,8S)-7-[(1E)-but-1-en-3-yn-1-yl]-2-[(2E)-pent-2-en-4-yn-1-yl]-1-azaspiro[5.5]undecan-8-ol |
![2D Structure of (2S,6R,10S,11S)-11-[(E)-but-1-en-3-ynyl]-2-[(E)-pent-2-en-4-ynyl]-1-azaspiro[5.5]undecan-10-ol](https://plantaedb.com/storage/docs/compounds/2023/11/2s6r10s11s-11-e-but-1-en-3-ynyl-2-e-pent-2-en-4-ynyl-1-azaspiro55undecan-10-ol.jpg "2D Structure of (2S,6R,10S,11S)-11-[(E)-but-1-en-3-ynyl]-2-[(E)-pent-2-en-4-ynyl]-1-azaspiro[5.5]undecan-10-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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.37% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.47% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.93% | 97.09% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 90.35% | 95.93% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 88.75% | 97.25% |
| CHEMBL325 | Q13547 | Histone deacetylase 1 | 85.97% | 95.92% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.10% | 95.89% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 84.77% | 94.75% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 84.66% | 95.50% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 83.93% | 97.05% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 82.37% | 100.00% |
| CHEMBL213 | P08588 | Beta-1 adrenergic receptor | 82.31% | 95.56% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.86% | 100.00% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 81.69% | 90.17% |
| CHEMBL238 | Q01959 | Dopamine transporter | 81.61% | 95.88% |
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 | 5282247 |
| LOTUS | LTS0057278 |
| wikiData | Q27116275 |