Satratoxin H 12',13'-diacetate
| Internal ID | c8ca7c10-214c-4bee-89fd-455cbc6209ec |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids > Trichothecenes |
| IUPAC Name | [(6R,14R,15S,16R,19Z,27R)-23-(1-acetyloxyethyl)-9,15-dimethyl-3,18-dioxospiro[4,12,17,24-tetraoxapentacyclo[21.3.1.113,16.06,11.06,15]octacosa-1,9,19,21-tetraene-14,2'-oxirane]-27-yl] acetate |
| SMILES (Canonical) | CC1=CC2C3(CC1)COC(=O)C=C4CCOC(C4OC(=O)C)(C=CC=CC(=O)OC5C3(C6(CO6)C(C5)O2)C)C(C)OC(=O)C |
| SMILES (Isomeric) | CC1=CC2[C@@]3(CC1)COC(=O)C=C4CCOC([C@@H]4OC(=O)C)(C=C/C=C\C(=O)O[C@H]5[C@]3([C@@]6(CO6)C(C5)O2)C)C(C)OC(=O)C |
| InChI | InChI=1S/C33H40O11/c1-19-9-12-31-17-38-28(37)15-23-10-13-39-32(20(2)41-21(3)34,29(23)42-22(4)35)11-7-6-8-27(36)44-24-16-26(43-25(31)14-19)33(18-40-33)30(24,31)5/h6-8,11,14-15,20,24-26,29H,9-10,12-13,16-18H2,1-5H3/b8-6-,11-7?,23-15?/t20?,24-,25?,26?,29-,30-,31-,32?,33-/m1/s1 |
| InChI Key | PCFSOFHNZOHJSF-PPSYOJDSSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C33H40O11 |
| Molecular Weight | 612.70 g/mol |
| Exact Mass | 612.25706209 g/mol |
| Topological Polar Surface Area (TPSA) | 136.00 Ų |
| XlogP | 1.90 |
| 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 | 99.02% | 91.11% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 97.32% | 97.25% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 96.28% | 85.14% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.36% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.99% | 94.45% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 92.28% | 96.77% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 92.21% | 91.49% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 91.88% | 98.75% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 91.75% | 94.80% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 91.12% | 100.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.40% | 95.56% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.26% | 89.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 88.86% | 98.95% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.21% | 97.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.95% | 86.33% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.45% | 99.23% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 85.44% | 91.19% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 84.76% | 92.62% |
| CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 84.19% | 97.36% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 83.82% | 95.71% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 82.90% | 96.47% |
| CHEMBL245 | P20309 | Muscarinic acetylcholine receptor M3 | 81.77% | 97.53% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.55% | 95.89% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 80.48% | 91.07% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 80.43% | 82.69% |
| CHEMBL5028 | O14672 | ADAM10 | 80.01% | 97.50% |
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 | 139587115 |
| LOTUS | LTS0071171 |
| wikiData | Q77521709 |