6,15-Dihydroxy-15-[1-hydroxy-1-(4-hydroxy-4,5-dimethyl-6-oxooxan-2-yl)ethyl]-2,16-dimethyl-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadec-4-en-3-one
| Internal ID | e14fa077-1c07-44e5-a4a5-087871c8a4c5 |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Steroid lactones > Withanolides and derivatives |
| IUPAC Name | 6,15-dihydroxy-15-[1-hydroxy-1-(4-hydroxy-4,5-dimethyl-6-oxooxan-2-yl)ethyl]-2,16-dimethyl-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadec-4-en-3-one |
| SMILES (Canonical) | CC1C(=O)OC(CC1(C)O)C(C)(C2(CCC3C2(CCC4C3CC5C6(C4(C(=O)C=CC6O)C)O5)C)O)O |
| SMILES (Isomeric) | CC1C(=O)OC(CC1(C)O)C(C)(C2(CCC3C2(CCC4C3CC5C6(C4(C(=O)C=CC6O)C)O5)C)O)O |
| InChI | InChI=1S/C28H40O8/c1-14-22(31)35-21(13-24(14,3)32)26(5,33)27(34)11-9-16-15-12-20-28(36-20)19(30)7-6-18(29)25(28,4)17(15)8-10-23(16,27)2/h6-7,14-17,19-21,30,32-34H,8-13H2,1-5H3 |
| InChI Key | VICSJVWLKNWRDW-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C28H40O8 |
| Molecular Weight | 504.60 g/mol |
| Exact Mass | 504.27231823 g/mol |
| Topological Polar Surface Area (TPSA) | 137.00 Ų |
| XlogP | 1.00 |
| There are no found synonyms. |
![2D Structure of 6,15-Dihydroxy-15-[1-hydroxy-1-(4-hydroxy-4,5-dimethyl-6-oxooxan-2-yl)ethyl]-2,16-dimethyl-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadec-4-en-3-one](https://plantaedb.com/storage/docs/compounds/2023/11/624ec370-85d1-11ee-a16c-1d3009f9efb7.jpg "2D Structure of 6,15-Dihydroxy-15-[1-hydroxy-1-(4-hydroxy-4,5-dimethyl-6-oxooxan-2-yl)ethyl]-2,16-dimethyl-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadec-4-en-3-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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 98.13% | 97.25% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 95.04% | 85.14% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 92.22% | 97.14% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.84% | 97.09% |
| CHEMBL332 | P03956 | Matrix metalloproteinase-1 | 90.74% | 94.50% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.05% | 95.56% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 89.86% | 100.00% |
| CHEMBL1871 | P10275 | Androgen Receptor | 88.03% | 96.43% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.30% | 99.23% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 87.26% | 95.38% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 86.97% | 82.69% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 86.95% | 100.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 86.18% | 96.09% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 86.08% | 91.07% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 85.29% | 93.04% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 85.21% | 91.11% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.39% | 86.33% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 80.83% | 91.03% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 80.56% | 89.05% |
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 philadelphica |
| PubChem | 73077149 |
| LOTUS | LTS0129240 |
| wikiData | Q105286747 |