6-Ethenyl-1,5-dimethyl-17-oxa-19,20-dithiapentacyclo[11.8.0.02,10.05,9.016,21]henicosan-15-one
| Internal ID | 7f140c39-dce3-4a15-89c3-d42d5e52b9ca |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Pregnane steroids > Gluco/mineralocorticoids, progestogins and derivatives |
| IUPAC Name | 6-ethenyl-1,5-dimethyl-17-oxa-19,20-dithiapentacyclo[11.8.0.02,10.05,9.016,21]henicosan-15-one |
| SMILES (Canonical) | CC12CCC3C(C1CCC2C=C)CCC4C3(C5C(C(=O)C4)OCSS5)C |
| SMILES (Isomeric) | CC12CCC3C(C1CCC2C=C)CCC4C3(C5C(C(=O)C4)OCSS5)C |
| InChI | InChI=1S/C22H32O2S2/c1-4-13-6-8-16-15-7-5-14-11-18(23)19-20(26-25-12-24-19)22(14,3)17(15)9-10-21(13,16)2/h4,13-17,19-20H,1,5-12H2,2-3H3 |
| InChI Key | VJOSXUKYBPWMSR-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C22H32O2S2 |
| Molecular Weight | 392.60 g/mol |
| Exact Mass | 392.18437261 g/mol |
| Topological Polar Surface Area (TPSA) | 76.90 Ų |
| XlogP | 6.10 |
| There are no found synonyms. |
![2D Structure of 6-Ethenyl-1,5-dimethyl-17-oxa-19,20-dithiapentacyclo[11.8.0.02,10.05,9.016,21]henicosan-15-one](https://plantaedb.com/storage/docs/compounds/2023/11/6-ethenyl-15-dimethyl-17-oxa-1920-dithiapentacyclo1180021005901621henicosan-15-one.jpg "2D Structure of 6-Ethenyl-1,5-dimethyl-17-oxa-19,20-dithiapentacyclo[11.8.0.02,10.05,9.016,21]henicosan-15-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 | 95.49% | 91.11% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 93.84% | 97.05% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.68% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.25% | 95.56% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 90.17% | 100.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.95% | 94.45% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 86.24% | 90.17% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 84.07% | 93.04% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 84.00% | 97.14% |
| CHEMBL5600 | P27448 | Serine/threonine-protein kinase c-TAK1 | 83.07% | 88.81% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 81.85% | 99.23% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 81.69% | 85.30% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 81.32% | 82.69% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 81.08% | 96.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 80.15% | 86.33% |
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.
| Curio talinoides |
| Senecio crassissimus |
| PubChem | 74000345 |
| LOTUS | LTS0111676 |
| wikiData | Q104983590 |