6'-Cyclohexyl-4',9-dihydroxy-7-methoxy-5',6,10,16-tetramethylspiro[2,20-dioxatricyclo[17.3.1.04,9]tricosa-5,10,12,16-tetraene-21,2'-oxane]-3,15-dione
| Internal ID | 78931f17-6028-42b3-91b5-55f31b5ca92b |
| Taxonomy | Phenylpropanoids and polyketides > Macrolides and analogues |
| IUPAC Name | 6'-cyclohexyl-4',9-dihydroxy-7-methoxy-5',6,10,16-tetramethylspiro[2,20-dioxatricyclo[17.3.1.04,9]tricosa-5,10,12,16-tetraene-21,2'-oxane]-3,15-dione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C36H52O8/c1-22-15-16-27-18-28(19-35(43-27)20-31(38)25(4)33(44-35)26-12-7-6-8-13-26)42-34(39)29-17-23(2)32(41-5)21-36(29,40)24(3)11-9-10-14-30(22)37/h9-11,15,17,25-29,31-33,38,40H,6-8,12-14,16,18-21H2,1-5H3 |
| InChI Key | XNDKDRSLGCMUMY-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C36H52O8 |
| Molecular Weight | 612.80 g/mol |
| Exact Mass | 612.36621861 g/mol |
| Topological Polar Surface Area (TPSA) | 112.00 Ų |
| XlogP | 4.90 |
| There are no found synonyms. |
![2D Structure of 6'-Cyclohexyl-4',9-dihydroxy-7-methoxy-5',6,10,16-tetramethylspiro[2,20-dioxatricyclo[17.3.1.04,9]tricosa-5,10,12,16-tetraene-21,2'-oxane]-3,15-dione](https://plantaedb.com/storage/docs/compounds/2023/11/b282e550-86db-11ee-9562-9788e148d8e8.jpg "2D Structure of 6'-Cyclohexyl-4',9-dihydroxy-7-methoxy-5',6,10,16-tetramethylspiro[2,20-dioxatricyclo[17.3.1.04,9]tricosa-5,10,12,16-tetraene-21,2'-oxane]-3,15-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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 97.87% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.00% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 92.52% | 85.14% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.53% | 95.56% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 90.02% | 99.23% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.56% | 97.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 88.47% | 91.11% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 87.38% | 94.08% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 87.30% | 94.00% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 87.16% | 94.75% |
| CHEMBL4803 | P29474 | Nitric-oxide synthase, endothelial | 86.61% | 86.00% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 85.62% | 97.14% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 85.61% | 97.28% |
| CHEMBL216 | P11229 | Muscarinic acetylcholine receptor M1 | 85.56% | 94.23% |
| CHEMBL1871 | P10275 | Androgen Receptor | 85.29% | 96.43% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.19% | 95.89% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 85.07% | 94.73% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.87% | 89.00% |
| CHEMBL3713062 | P10646 | Tissue factor pathway inhibitor | 84.38% | 97.33% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 84.35% | 93.56% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 83.90% | 93.04% |
| CHEMBL3012 | Q13946 | Phosphodiesterase 7A | 83.83% | 99.29% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 83.09% | 96.61% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 82.40% | 92.50% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.48% | 100.00% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 81.45% | 92.62% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 80.91% | 82.69% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 80.18% | 86.33% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 163061521 |
| LOTUS | LTS0136205 |
| wikiData | Q104201155 |