(1S,3S,5S,8E,16S,19S)-3-hydroxy-8,19,20,20-tetramethyl-4-methylidene-11,15-dioxatricyclo[14.3.1.05,19]icos-8-ene-12,14-dione
| Internal ID | 62c1ee47-5967-4756-889d-ac29dec7df2a |
| Taxonomy | Phenylpropanoids and polyketides > Macrolides and analogues |
| IUPAC Name | (1S,3S,5S,8E,16S,19S)-3-hydroxy-8,19,20,20-tetramethyl-4-methylidene-11,15-dioxatricyclo[14.3.1.05,19]icos-8-ene-12,14-dione |
| SMILES (Canonical) | CC1=CCOC(=O)CC(=O)OC2CCC3(C(CC1)C(=C)C(CC3C2(C)C)O)C |
| SMILES (Isomeric) | C/C/1=C\COC(=O)CC(=O)O[C@H]2CC[C@@]3([C@H](CC1)C(=C)[C@H](C[C@@H]3C2(C)C)O)C |
| InChI | InChI=1S/C23H34O5/c1-14-6-7-16-15(2)17(24)12-18-22(3,4)19(8-10-23(16,18)5)28-21(26)13-20(25)27-11-9-14/h9,16-19,24H,2,6-8,10-13H2,1,3-5H3/b14-9+/t16-,17+,18-,19+,23-/m1/s1 |
| InChI Key | WGMFAKVOGQGFNF-PKZFYNBPSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C23H34O5 |
| Molecular Weight | 390.50 g/mol |
| Exact Mass | 390.24062418 g/mol |
| Topological Polar Surface Area (TPSA) | 72.80 Ų |
| XlogP | 3.70 |
| There are no found synonyms. |
![2D Structure of (1S,3S,5S,8E,16S,19S)-3-hydroxy-8,19,20,20-tetramethyl-4-methylidene-11,15-dioxatricyclo[14.3.1.05,19]icos-8-ene-12,14-dione](https://plantaedb.com/storage/docs/compounds/2023/11/994156d0-864e-11ee-bfc6-f9ef4a240ebc.jpg "2D Structure of (1S,3S,5S,8E,16S,19S)-3-hydroxy-8,19,20,20-tetramethyl-4-methylidene-11,15-dioxatricyclo[14.3.1.05,19]icos-8-ene-12,14-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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.17% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.75% | 95.56% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 93.24% | 100.00% |
| CHEMBL1871 | P10275 | Androgen Receptor | 90.70% | 96.43% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 89.68% | 99.23% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 89.56% | 96.38% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.11% | 89.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.97% | 97.09% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.13% | 95.89% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 83.85% | 94.75% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 82.44% | 97.25% |
| CHEMBL4530 | P00488 | Coagulation factor XIII | 81.19% | 96.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 81.18% | 86.33% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 80.19% | 90.17% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 80.18% | 82.69% |
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.
| Corymbium villosum |
| PubChem | 13970412 |
| LOTUS | LTS0135151 |
| wikiData | Q105304623 |