5-Hydroxy-4,5-dimethyl-3-(propan-2-yl)-4,5,8,10,12,13,13a,13b-octahydro-2h-[1,6]dioxacycloundecino[2,3,4-gh]pyrrolizine-2,6(3h)-dione
| Internal ID | ae9e34e2-8f1c-436f-a9e2-b82801952ede |
| Taxonomy | Organoheterocyclic compounds > Pyrrolizines |
| IUPAC Name | 6-hydroxy-5,6-dimethyl-4-propan-2-yl-2,8-dioxa-13-azatricyclo[8.5.1.013,16]hexadec-10-ene-3,7-dione |
| SMILES (Canonical) | CC1C(C(=O)OC2CCN3C2C(=CC3)COC(=O)C1(C)O)C(C)C |
| SMILES (Isomeric) | CC1C(C(=O)OC2CCN3C2C(=CC3)COC(=O)C1(C)O)C(C)C |
| InChI | InChI=1S/C18H27NO5/c1-10(2)14-11(3)18(4,22)17(21)23-9-12-5-7-19-8-6-13(15(12)19)24-16(14)20/h5,10-11,13-15,22H,6-9H2,1-4H3 |
| InChI Key | DSYFCKQYQRJSLW-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C18H27NO5 |
| Molecular Weight | 337.40 g/mol |
| Exact Mass | 337.18892296 g/mol |
| Topological Polar Surface Area (TPSA) | 76.10 Ų |
| XlogP | 1.30 |
| DTXSID00963984 |
| 6-Hydroxy-5,6-dimethyl-4-propan-2-yl-2,8-dioxa-13-azatricyclo[8.5.1.013,16]hexadec-10-ene-3,7-dione |
![2D Structure of 5-Hydroxy-4,5-dimethyl-3-(propan-2-yl)-4,5,8,10,12,13,13a,13b-octahydro-2h-[1,6]dioxacycloundecino[2,3,4-gh]pyrrolizine-2,6(3h)-dione](https://plantaedb.com/storage/docs/compounds/2023/11/bcb08a80-860a-11ee-901d-6dd1a8e6995f.jpg "2D Structure of 5-Hydroxy-4,5-dimethyl-3-(propan-2-yl)-4,5,8,10,12,13,13a,13b-octahydro-2h-[1,6]dioxacycloundecino[2,3,4-gh]pyrrolizine-2,6(3h)-dione")
| 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 |
|---|---|---|---|---|
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 96.23% | 85.14% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 94.42% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.07% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.26% | 94.45% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.42% | 95.56% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 88.31% | 93.40% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 88.15% | 91.11% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 87.84% | 100.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 86.96% | 99.23% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 85.66% | 96.77% |
| CHEMBL2581 | P07339 | Cathepsin D | 84.91% | 98.95% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 84.58% | 97.14% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.06% | 95.89% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.78% | 89.00% |
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.
| Trichodesma incanum |
| PubChem | 164616 |
| LOTUS | LTS0071000 |
| wikiData | Q105104393 |