dimethyl (1R,2S,3S,4S,5S,8S,9S,12R,14S)-14-fluoro-5-hydroxy-4,8-dimethyl-13-methylidenetetracyclo[10.2.1.01,9.03,8]pentadecane-2,4-dicarboxylate
| Internal ID | d6848817-b60c-4e1f-8681-96b20fec51c8 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > C20-gibberellins |
| IUPAC Name | dimethyl (1R,2S,3S,4S,5S,8S,9S,12R,14S)-14-fluoro-5-hydroxy-4,8-dimethyl-13-methylidenetetracyclo[10.2.1.01,9.03,8]pentadecane-2,4-dicarboxylate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C22H31FO5/c1-11-12-6-7-13-20(2)9-8-14(24)21(3,19(26)28-5)16(20)15(18(25)27-4)22(13,10-12)17(11)23/h12-17,24H,1,6-10H2,2-5H3/t12-,13+,14+,15-,16+,17+,20+,21-,22-/m1/s1 |
| InChI Key | DAYMQQMZXAMXSG-HFCIBHKPSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C22H31FO5 |
| Molecular Weight | 394.50 g/mol |
| Exact Mass | 394.21555225 g/mol |
| Topological Polar Surface Area (TPSA) | 72.80 Ų |
| XlogP | 3.50 |
| There are no found synonyms. |
![2D Structure of dimethyl (1R,2S,3S,4S,5S,8S,9S,12R,14S)-14-fluoro-5-hydroxy-4,8-dimethyl-13-methylidenetetracyclo[10.2.1.01,9.03,8]pentadecane-2,4-dicarboxylate](https://plantaedb.com/storage/docs/compounds/2023/11/eafc22c0-871e-11ee-96ee-11c51f4230d8.jpg "2D Structure of dimethyl (1R,2S,3S,4S,5S,8S,9S,12R,14S)-14-fluoro-5-hydroxy-4,8-dimethyl-13-methylidenetetracyclo[10.2.1.01,9.03,8]pentadecane-2,4-dicarboxylate")
| 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 |
|---|---|---|---|---|
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 95.16% | 96.38% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.83% | 96.09% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 92.06% | 90.17% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 90.61% | 91.11% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.58% | 95.89% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 85.91% | 95.50% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 85.78% | 94.75% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.09% | 97.09% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 85.07% | 93.03% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 84.34% | 82.69% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 83.70% | 94.45% |
| CHEMBL1871 | P10275 | Androgen Receptor | 83.28% | 96.43% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 82.67% | 92.62% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 82.57% | 91.19% |
| CHEMBL2815 | P04629 | Nerve growth factor receptor Trk-A | 82.32% | 87.16% |
| CHEMBL5028 | O14672 | ADAM10 | 81.89% | 97.50% |
| CHEMBL2581 | P07339 | Cathepsin D | 81.57% | 98.95% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 81.55% | 94.33% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 81.03% | 97.28% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.90% | 100.00% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 80.66% | 97.14% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 80.52% | 95.89% |
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 | 162892923 |
| LOTUS | LTS0082835 |
| wikiData | Q104974131 |