6-(4,5-Dimethyl-6-oxo-2,3-dihydropyran-2-yl)-18,19-dihydroxy-8-methoxy-6,13-dimethyl-7-oxapentacyclo[10.8.0.02,9.05,9.013,18]icos-15-en-14-one
| Internal ID | e01c8d59-a4bf-402e-b35d-a4f8148317be |
| 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)-18,19-dihydroxy-8-methoxy-6,13-dimethyl-7-oxapentacyclo[10.8.0.02,9.05,9.013,18]icos-15-en-14-one |
| SMILES (Canonical) | CC1=C(C(=O)OC(C1)C2(C3CCC4C3(CCC5C4CC(C6(C5(C(=O)C=CC6)C)O)O)C(O2)OC)C)C |
| SMILES (Isomeric) | CC1=C(C(=O)OC(C1)C2(C3CCC4C3(CCC5C4CC(C6(C5(C(=O)C=CC6)C)O)O)C(O2)OC)C)C |
| InChI | InChI=1S/C29H40O7/c1-15-13-23(35-24(32)16(15)2)27(4)20-9-8-19-17-14-22(31)29(33)11-6-7-21(30)26(29,3)18(17)10-12-28(19,20)25(34-5)36-27/h6-7,17-20,22-23,25,31,33H,8-14H2,1-5H3 |
| InChI Key | MTEZZEZYSSQMGV-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C29H40O7 |
| Molecular Weight | 500.60 g/mol |
| Exact Mass | 500.27740361 g/mol |
| Topological Polar Surface Area (TPSA) | 102.00 Ų |
| XlogP | 2.80 |
| There are no found synonyms. |
![2D Structure of 6-(4,5-Dimethyl-6-oxo-2,3-dihydropyran-2-yl)-18,19-dihydroxy-8-methoxy-6,13-dimethyl-7-oxapentacyclo[10.8.0.02,9.05,9.013,18]icos-15-en-14-one](https://plantaedb.com/storage/docs/compounds/2023/11/85bf0cd0-840d-11ee-8277-cb662b6fd949.jpg "2D Structure of 6-(4,5-Dimethyl-6-oxo-2,3-dihydropyran-2-yl)-18,19-dihydroxy-8-methoxy-6,13-dimethyl-7-oxapentacyclo[10.8.0.02,9.05,9.013,18]icos-15-en-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 |
|---|---|---|---|---|
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 97.99% | 85.14% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.55% | 95.56% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.63% | 91.11% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.13% | 97.09% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 90.92% | 97.14% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.50% | 96.09% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 89.68% | 100.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 89.05% | 94.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.30% | 86.33% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.98% | 95.89% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 87.02% | 96.61% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 87.00% | 83.82% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.39% | 99.23% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 84.24% | 97.79% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 83.66% | 92.62% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 82.68% | 94.75% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 82.53% | 90.93% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 82.47% | 97.25% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.99% | 89.00% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 81.91% | 93.04% |
| CHEMBL4803 | P29474 | Nitric-oxide synthase, endothelial | 81.61% | 86.00% |
| CHEMBL1871 | P10275 | Androgen Receptor | 80.66% | 96.43% |
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 minima |
| PubChem | 73323681 |
| LOTUS | LTS0170507 |
| wikiData | Q105171661 |