(1S,3S,7S,10R,11R,12S,16R)-7,11-dihydroxy-8,8,10,12-tetramethyl-3-[(E)-2-(2-methyl-1,3-thiazol-4-yl)ethenyl]-4,17-dioxabicyclo[14.1.0]heptadecane-5,9-dione
| Internal ID | 3509f866-9d99-413d-8098-5d4c9ddaf4af |
| Taxonomy | Phenylpropanoids and polyketides > Macrolides and analogues |
| IUPAC Name | (1S,3S,7S,10R,11R,12S,16R)-7,11-dihydroxy-8,8,10,12-tetramethyl-3-[(E)-2-(2-methyl-1,3-thiazol-4-yl)ethenyl]-4,17-dioxabicyclo[14.1.0]heptadecane-5,9-dione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C25H37NO6S/c1-14-7-6-8-19-20(32-19)11-18(10-9-17-13-33-16(3)26-17)31-22(28)12-21(27)25(4,5)24(30)15(2)23(14)29/h9-10,13-15,18-21,23,27,29H,6-8,11-12H2,1-5H3/b10-9+/t14-,15+,18+,19+,20-,21-,23+/m0/s1 |
| InChI Key | HQOMWNCHRWPRQE-VZUIKPBUSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C25H37NO6S |
| Molecular Weight | 479.60 g/mol |
| Exact Mass | 479.23415907 g/mol |
| Topological Polar Surface Area (TPSA) | 137.00 Ų |
| XlogP | 3.40 |
| There are no found synonyms. |
![2D Structure of (1S,3S,7S,10R,11R,12S,16R)-7,11-dihydroxy-8,8,10,12-tetramethyl-3-[(E)-2-(2-methyl-1,3-thiazol-4-yl)ethenyl]-4,17-dioxabicyclo[14.1.0]heptadecane-5,9-dione](https://plantaedb.com/storage/docs/compounds/2023/11/95b36080-87f1-11ee-9ed6-1b5602c9a6ac.jpg "2D Structure of (1S,3S,7S,10R,11R,12S,16R)-7,11-dihydroxy-8,8,10,12-tetramethyl-3-[(E)-2-(2-methyl-1,3-thiazol-4-yl)ethenyl]-4,17-dioxabicyclo[14.1.0]heptadecane-5,9-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 |
|---|---|---|---|---|
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 96.43% | 85.14% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 95.59% | 99.23% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.86% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.35% | 96.09% |
| CHEMBL4803 | P29474 | Nitric-oxide synthase, endothelial | 91.83% | 86.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.94% | 86.33% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 86.44% | 92.94% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 86.40% | 93.00% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 86.12% | 93.03% |
| CHEMBL1293294 | P51151 | Ras-related protein Rab-9A | 83.28% | 87.67% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 81.55% | 82.38% |
| CHEMBL4829 | O00763 | Acetyl-CoA carboxylase 2 | 81.30% | 98.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.26% | 90.71% |
| CHEMBL3012 | Q13946 | Phosphodiesterase 7A | 80.70% | 99.29% |
| CHEMBL2095226 | P05556 | Integrin alpha-5/beta-1 | 80.52% | 96.39% |
| CHEMBL1907601 | P11802 | Cyclin-dependent kinase 4/cyclin D1 | 80.22% | 98.99% |
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.
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| There are no matching plants. |
| PubChem | 162944693 |
| LOTUS | LTS0215871 |
| wikiData | Q105032358 |