(1S,9E,13S,17S)-15-chloro-17-hydroxy-4,9,13,17-tetramethyl-6-oxatricyclo[11.4.0.03,7]heptadeca-3(7),4,9,15-tetraen-14-one
| Internal ID | a62af4f7-2626-469f-a794-75e74d79ceaf |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbonyl compounds > Cyclic ketones > Cyclohexenones |
| IUPAC Name | (1S,9E,13S,17S)-15-chloro-17-hydroxy-4,9,13,17-tetramethyl-6-oxatricyclo[11.4.0.03,7]heptadeca-3(7),4,9,15-tetraen-14-one |
| SMILES (Canonical) | CC1=CCCC2(C(CC3=C(C1)OC=C3C)C(C=C(C2=O)Cl)(C)O)C |
| SMILES (Isomeric) | C/C/1=C\CC[C@]2([C@H](CC3=C(C1)OC=C3C)[C@](C=C(C2=O)Cl)(C)O)C |
| InChI | InChI=1S/C20H25ClO3/c1-12-6-5-7-19(3)17(20(4,23)10-15(21)18(19)22)9-14-13(2)11-24-16(14)8-12/h6,10-11,17,23H,5,7-9H2,1-4H3/b12-6+/t17-,19-,20+/m0/s1 |
| InChI Key | ICSLIUSMJIWYQL-GDTICEEESA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H25ClO3 |
| Molecular Weight | 348.90 g/mol |
| Exact Mass | 348.1492223 g/mol |
| Topological Polar Surface Area (TPSA) | 50.40 Ų |
| XlogP | 3.90 |
| There are no found synonyms. |
![2D Structure of (1S,9E,13S,17S)-15-chloro-17-hydroxy-4,9,13,17-tetramethyl-6-oxatricyclo[11.4.0.03,7]heptadeca-3(7),4,9,15-tetraen-14-one](https://plantaedb.com/storage/docs/compounds/2023/11/af5f0b60-8553-11ee-9ad7-6158ae128550.jpg "2D Structure of (1S,9E,13S,17S)-15-chloro-17-hydroxy-4,9,13,17-tetramethyl-6-oxatricyclo[11.4.0.03,7]heptadeca-3(7),4,9,15-tetraen-14-one")
| 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 | 97.16% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.41% | 94.45% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 90.94% | 97.25% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.78% | 97.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.31% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 86.99% | 98.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.63% | 86.33% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.25% | 95.89% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 84.13% | 90.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.26% | 89.00% |
| CHEMBL5852 | Q96P65 | Pyroglutamylated RFamide peptide receptor | 82.03% | 85.00% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.63% | 100.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 80.63% | 94.73% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 80.29% | 96.77% |
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 | 163194175 |
| LOTUS | LTS0220296 |
| wikiData | Q105111138 |