6-(4,5-Dimethyl-6-oxo-2,3-dihydropyran-2-yl)-8,16-dimethoxy-6,13-dimethyl-7,19-dioxahexacyclo[10.9.0.02,9.05,9.013,18.018,20]henicosan-14-one
| Internal ID | b140d343-04c3-4157-8dd3-757304c93bcd |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Steroid lactones > Withanolides and derivatives |
| IUPAC Name | 6-(4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl)-8,16-dimethoxy-6,13-dimethyl-7,19-dioxahexacyclo[10.9.0.02,9.05,9.013,18.018,20]henicosan-14-one |
| SMILES (Canonical) | CC1=C(C(=O)OC(C1)C2(C3CCC4C3(CCC5C4CC6C7(C5(C(=O)CC(C7)OC)C)O6)C(O2)OC)C)C |
| SMILES (Isomeric) | CC1=C(C(=O)OC(C1)C2(C3CCC4C3(CCC5C4CC6C7(C5(C(=O)CC(C7)OC)C)O6)C(O2)OC)C)C |
| InChI | InChI=1S/C30H42O7/c1-15-11-23(35-25(32)16(15)2)28(4)21-8-7-20-18-13-24-30(36-24)14-17(33-5)12-22(31)27(30,3)19(18)9-10-29(20,21)26(34-6)37-28/h17-21,23-24,26H,7-14H2,1-6H3 |
| InChI Key | SAIFFVVGSHBPGI-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C30H42O7 |
| Molecular Weight | 514.60 g/mol |
| Exact Mass | 514.29305367 g/mol |
| Topological Polar Surface Area (TPSA) | 83.60 Ų |
| XlogP | 3.30 |
| There are no found synonyms. |
![2D Structure of 6-(4,5-Dimethyl-6-oxo-2,3-dihydropyran-2-yl)-8,16-dimethoxy-6,13-dimethyl-7,19-dioxahexacyclo[10.9.0.02,9.05,9.013,18.018,20]henicosan-14-one](https://plantaedb.com/storage/docs/compounds/2023/11/ae513fc0-83e3-11ee-97b1-f780855ea02e.jpg "2D Structure of 6-(4,5-Dimethyl-6-oxo-2,3-dihydropyran-2-yl)-8,16-dimethoxy-6,13-dimethyl-7,19-dioxahexacyclo[10.9.0.02,9.05,9.013,18.018,20]henicosan-14-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 |
|---|---|---|---|---|
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.47% | 97.09% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 92.38% | 94.75% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 91.16% | 94.00% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 90.96% | 92.94% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.70% | 95.56% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 89.18% | 97.14% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 88.77% | 85.14% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 88.72% | 99.23% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 88.33% | 97.05% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 87.98% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 87.52% | 96.09% |
| CHEMBL4302 | P08183 | P-glycoprotein 1 | 87.42% | 92.98% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.88% | 86.33% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.72% | 100.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 83.49% | 91.11% |
| CHEMBL2094127 | P06493 | Cyclin-dependent kinase 1/cyclin B | 83.09% | 96.00% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 82.52% | 90.08% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 82.43% | 97.79% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.82% | 95.89% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 80.21% | 82.69% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 80.16% | 92.62% |
| CHEMBL325 | Q13547 | Histone deacetylase 1 | 80.09% | 95.92% |
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.
| Physalis lagascae |
| PubChem | 73323716 |
| LOTUS | LTS0226378 |
| wikiData | Q105248879 |