Methyl 3-[12-(2-hydroxypropan-2-yl)-4,8-dimethyl-5-oxo-13-tetracyclo[7.5.0.01,13.04,8]tetradecanyl]propanoate
| Internal ID | 1fe1d08d-01b5-4e7f-bacf-d00ccb7228f1 |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Eicosanoids > Prostaglandins and related compounds |
| IUPAC Name | methyl 3-[12-(2-hydroxypropan-2-yl)-4,8-dimethyl-5-oxo-13-tetracyclo[7.5.0.01,13.04,8]tetradecanyl]propanoate |
| SMILES (Canonical) | CC12CCC(=O)C1(CCC34C2CCC(C3(C4)CCC(=O)OC)C(C)(C)O)C |
| SMILES (Isomeric) | CC12CCC(=O)C1(CCC34C2CCC(C3(C4)CCC(=O)OC)C(C)(C)O)C |
| InChI | InChI=1S/C23H36O4/c1-19(2,26)15-6-7-16-20(3)10-8-17(24)21(20,4)12-13-23(16)14-22(15,23)11-9-18(25)27-5/h15-16,26H,6-14H2,1-5H3 |
| InChI Key | WWSMKXNAXIUSFM-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C23H36O4 |
| Molecular Weight | 376.50 g/mol |
| Exact Mass | 376.26135963 g/mol |
| Topological Polar Surface Area (TPSA) | 63.60 Ų |
| XlogP | 3.60 |
| There are no found synonyms. |
![2D Structure of Methyl 3-[12-(2-hydroxypropan-2-yl)-4,8-dimethyl-5-oxo-13-tetracyclo[7.5.0.01,13.04,8]tetradecanyl]propanoate](https://plantaedb.com/storage/docs/compounds/2023/11/183c97c0-85d1-11ee-a152-455604bf4400.jpg "2D Structure of Methyl 3-[12-(2-hydroxypropan-2-yl)-4,8-dimethyl-5-oxo-13-tetracyclo[7.5.0.01,13.04,8]tetradecanyl]propanoate")
| 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 | 98.17% | 91.11% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 96.40% | 97.25% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.10% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.10% | 96.09% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 88.73% | 92.62% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.08% | 94.45% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.08% | 97.09% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 83.00% | 94.33% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 82.94% | 94.00% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 82.50% | 100.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 82.35% | 85.14% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 82.16% | 91.19% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 81.53% | 82.69% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 81.03% | 96.77% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 80.57% | 95.71% |
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.
| Buxus papillosa |
| PubChem | 163032900 |
| LOTUS | LTS0056237 |
| wikiData | Q105314254 |