(17S,23S)-17,23-epoxy-3beta,15alpha-dihydroxy-7,11-dioxo-5alpha-lanosta-8-en-26,23-olide
| Internal ID | e35450dc-295b-4391-ba86-342cc2b2d832 |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Steroid lactones > Withanolides and derivatives |
| IUPAC Name | |
| SMILES (Canonical) | CC1CC2(CC(C3(O2)CC(C4(C3(CC(=O)C5=C4C(=O)CC6C5(CCC(C6(C)C)O)C)C)C)O)C)OC1=O |
| SMILES (Isomeric) | C[C@@H]1C[C@]2(C[C@H]([C@@]3(O2)C[C@@H]([C@@]4([C@@]3(CC(=O)C5=C4C(=O)C[C@@H]6[C@@]5(CC[C@@H](C6(C)C)O)C)C)C)O)C)OC1=O |
| InChI | InChI=1S/C30H42O7/c1-15-11-29(36-24(15)35)12-16(2)30(37-29)14-21(34)28(7)23-17(31)10-19-25(3,4)20(33)8-9-26(19,5)22(23)18(32)13-27(28,30)6/h15-16,19-21,33-34H,8-14H2,1-7H3/t15-,16-,19+,20+,21+,26+,27+,28+,29+,30+/m1/s1 |
| InChI Key | GHTXJUWCAZBSKK-BZDHVDRSSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C30H42O7 |
| Molecular Weight | 514.60 g/mol |
| Exact Mass | 514.29305367 g/mol |
| Topological Polar Surface Area (TPSA) | 110.00 Ų |
| XlogP | 3.30 |
| There are no found synonyms. |
| 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 | 96.43% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.73% | 95.56% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 90.49% | 85.14% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.18% | 97.09% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.61% | 89.00% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 89.38% | 100.00% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 88.72% | 85.30% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 87.83% | 96.77% |
| CHEMBL2581 | P07339 | Cathepsin D | 87.78% | 98.95% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 86.07% | 99.23% |
| CHEMBL4803 | P29474 | Nitric-oxide synthase, endothelial | 84.45% | 86.00% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 83.62% | 92.88% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 83.19% | 96.09% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 83.00% | 92.94% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 81.96% | 97.05% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 80.96% | 97.25% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 80.16% | 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.
| There are no matching plants. |
| PubChem | 146684143 |
| LOTUS | LTS0057965 |
| wikiData | Q105008720 |