Spirostane-3,6-dione
| Internal ID | c06f9e2b-8b3f-40dd-8f39-146527414228 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Triterpenoids |
| IUPAC Name | 5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16,19-dione |
| SMILES (Canonical) | CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC(=O)C6C5(CCC(=O)C6)C)C)C)OC1 |
| SMILES (Isomeric) | CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC(=O)C6C5(CCC(=O)C6)C)C)C)OC1 |
| InChI | InChI=1S/C27H40O4/c1-15-5-10-27(30-14-15)16(2)24-23(31-27)13-20-18-12-22(29)21-11-17(28)6-8-25(21,3)19(18)7-9-26(20,24)4/h15-16,18-21,23-24H,5-14H2,1-4H3 |
| InChI Key | CGXQJOWMWZPOPV-UHFFFAOYSA-N |
| Popularity | 4 references in papers |
| Molecular Formula | C27H40O4 |
| Molecular Weight | 428.60 g/mol |
| Exact Mass | 428.29265975 g/mol |
| Topological Polar Surface Area (TPSA) | 52.60 Ų |
| XlogP | 4.40 |
| Chlorogenone |
| CHEBI:175478 |
| 5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16,19-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 |
|---|---|---|---|---|
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 96.37% | 97.09% |
| CHEMBL1914 | P06276 | Butyrylcholinesterase | 92.55% | 95.00% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 92.43% | 100.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.80% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 90.56% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 90.06% | 91.11% |
| CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 88.06% | 95.58% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 87.60% | 97.05% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 87.10% | 92.50% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 86.99% | 93.04% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.17% | 95.56% |
| CHEMBL1871 | P10275 | Androgen Receptor | 84.38% | 96.43% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.33% | 89.00% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 84.00% | 85.11% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 82.84% | 96.38% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 82.82% | 96.77% |
| CHEMBL236 | P41143 | Delta opioid receptor | 81.98% | 99.35% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 81.74% | 97.14% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 81.60% | 99.23% |
| CHEMBL4523377 | Q86WV6 | Stimulator of interferon genes protein | 81.18% | 95.48% |
| CHEMBL325 | Q13547 | Histone deacetylase 1 | 80.98% | 95.92% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 80.59% | 93.40% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 80.52% | 89.05% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 80.43% | 100.00% |
| CHEMBL3746 | P80365 | 11-beta-hydroxysteroid dehydrogenase 2 | 80.40% | 94.78% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.35% | 95.89% |
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.
| Solanum torvum |
| PubChem | 13889197 |
| LOTUS | LTS0153416 |
| wikiData | Q104958388 |