Sporidesmolide-III
| Internal ID | f52b370b-2a87-4200-82ef-8707e1aa30ea |
| Taxonomy | Organic acids and derivatives > Peptidomimetics > Depsipeptides > Cyclic depsipeptides |
| IUPAC Name | 3,12-bis(2-methylpropyl)-6,9,15,18-tetra(propan-2-yl)-1,10-dioxa-4,7,13,16-tetrazacyclooctadecane-2,5,8,11,14,17-hexone |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C32H56N4O8/c1-15(2)13-21-31(41)43-25(19(9)10)29(39)36-24(18(7)8)28(38)34-22(14-16(3)4)32(42)44-26(20(11)12)30(40)35-23(17(5)6)27(37)33-21/h15-26H,13-14H2,1-12H3,(H,33,37)(H,34,38)(H,35,40)(H,36,39) |
| InChI Key | UCQPBOFHICXBCU-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C32H56N4O8 |
| Molecular Weight | 624.80 g/mol |
| Exact Mass | 624.40981476 g/mol |
| Topological Polar Surface Area (TPSA) | 169.00 Ų |
| XlogP | 6.10 |
| 3,12-bis(2-methylpropyl)-6,9,15,18-tetra(propan-2-yl)-1,10-dioxa-4,7,13,16-tetrazacyclooctadecane-2,5,8,11,14,17-hexone |
| RefChem:185032 |
| CHEBI:201551 |
| CHEBI:212941 |
| BAA80367 |
| 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 |
|---|---|---|---|---|
| CHEMBL3837 | P07711 | Cathepsin L | 94.46% | 96.61% |
| CHEMBL1949 | P62937 | Cyclophilin A | 93.38% | 98.57% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 92.83% | 97.25% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.30% | 98.95% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 89.63% | 90.08% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 89.57% | 96.09% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 86.43% | 94.75% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 85.85% | 96.47% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 83.89% | 95.56% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 83.45% | 88.56% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 83.20% | 85.14% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 83.15% | 94.73% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 82.14% | 94.45% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 81.69% | 97.09% |
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 | 139587172 |
| LOTUS | LTS0054580 |
| wikiData | Q77559548 |