Cytosporolide B
| Internal ID | 6c7b673e-a2ca-41f1-a377-73350ee1288e |
| Taxonomy | Organoheterocyclic compounds > Benzopyrans > 2-benzopyrans |
| IUPAC Name | (1R,2R,3S,4E,6R,9S,12S,21R)-21-hexyl-3,9,17-trihydroxy-5-(hydroxymethyl)-8,8,12,24-tetramethyl-13,14,22-trioxapentacyclo[14.6.2.02,12.06,9.019,23]tetracosa-4,16,18,23-tetraen-15-one |
| SMILES (Canonical) | CCCCCCC1CC2=CC(=C3C(=C2C(O1)C4C(C=C(C5CC(C5(CCC4(OOC3=O)C)O)(C)C)CO)O)C)O |
| SMILES (Isomeric) | CCCCCC[C@@H]1CC2=CC(=C3C(=C2[C@H](O1)[C@H]4[C@H](/C=C(\[C@H]5CC([C@@]5(CC[C@@]4(OOC3=O)C)O)(C)C)/CO)O)C)O |
| InChI | InChI=1S/C32H46O8/c1-6-7-8-9-10-21-13-19-14-23(34)26-18(2)25(19)28(38-21)27-24(35)15-20(17-33)22-16-30(3,4)32(22,37)12-11-31(27,5)40-39-29(26)36/h14-15,21-22,24,27-28,33-35,37H,6-13,16-17H2,1-5H3/b20-15-/t21-,22-,24+,27-,28+,31+,32+/m1/s1 |
| InChI Key | FESKCHKMYDJROC-VIEOXVQGSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C32H46O8 |
| Molecular Weight | 558.70 g/mol |
| Exact Mass | 558.31926842 g/mol |
| Topological Polar Surface Area (TPSA) | 126.00 Ų |
| XlogP | 4.50 |
| 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 | 99.49% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.88% | 98.95% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 96.93% | 97.79% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 95.74% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.74% | 95.56% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 94.19% | 91.49% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 93.66% | 93.99% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.23% | 96.09% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 92.03% | 89.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.79% | 94.45% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 88.84% | 100.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 88.22% | 99.23% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 86.41% | 94.73% |
| CHEMBL236 | P41143 | Delta opioid receptor | 86.01% | 99.35% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.29% | 95.89% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 84.27% | 95.62% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 83.96% | 82.38% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 83.06% | 93.40% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 82.85% | 91.71% |
| CHEMBL4581 | P52732 | Kinesin-like protein 1 | 82.06% | 93.18% |
| CHEMBL5555 | O00767 | Acyl-CoA desaturase | 81.26% | 97.50% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 81.25% | 97.09% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 81.01% | 96.90% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 81.00% | 95.93% |
| CHEMBL233 | P35372 | Mu opioid receptor | 80.48% | 97.93% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 80.43% | 90.00% |
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 | 46867326 |
| LOTUS | LTS0072320 |
| wikiData | Q77384613 |