Okilactomycin A
| Internal ID | bf047d63-48cd-48b2-83f9-bccb493ff30b |
| Taxonomy | Organoheterocyclic compounds > Furopyrans |
| IUPAC Name | (1S,3S,6S,10R,12R,13R,14S,16R,19R)-14-(hydroxymethyl)-3,10,12,16-tetramethyl-15,17-dioxo-18,20-dioxatetracyclo[11.5.2.01,6.016,19]icos-4-ene-4-carboxylic acid |
| SMILES (Canonical) | CC1CCCC2C=C(C(CC23C4C(C(=O)C(C(O4)C(C1)C)CO)(C(=O)O3)C)C)C(=O)O |
| SMILES (Isomeric) | C[C@@H]1CCC[C@H]2C=C([C@H](C[C@@]23[C@H]4[C@](C(=O)[C@H]([C@H](O4)[C@@H](C1)C)CO)(C(=O)O3)C)C)C(=O)O |
| InChI | InChI=1S/C24H34O7/c1-12-6-5-7-15-9-16(20(27)28)14(3)10-24(15)21-23(4,22(29)31-24)19(26)17(11-25)18(30-21)13(2)8-12/h9,12-15,17-18,21,25H,5-8,10-11H2,1-4H3,(H,27,28)/t12-,13-,14+,15+,17+,18-,21-,23+,24+/m1/s1 |
| InChI Key | HGKUHIRTTIFEDN-UTSAFVJLSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C24H34O7 |
| Molecular Weight | 434.50 g/mol |
| Exact Mass | 434.23045342 g/mol |
| Topological Polar Surface Area (TPSA) | 110.00 Ų |
| XlogP | 3.70 |
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.71% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 95.63% | 97.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.34% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.81% | 95.56% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 91.27% | 97.25% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.87% | 86.33% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 85.65% | 85.14% |
| CHEMBL2581 | P07339 | Cathepsin D | 85.15% | 98.95% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 84.72% | 92.50% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 83.42% | 93.00% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 82.57% | 93.04% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 80.71% | 89.63% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 80.64% | 94.45% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 80.44% | 95.50% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 80.03% | 91.19% |
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 | 25243528 |
| LOTUS | LTS0064693 |
| wikiData | Q77372218 |