Trigonochinene A
| Internal ID | 9b7be1b6-8ddc-4282-9855-3122f203aa66 |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty acid esters |
| IUPAC Name | methyl 3-[(1R,2R,4aS)-5-ethenyl-4a-hydroxy-1,6-dimethyl-7-oxo-2-prop-1-en-2-yl-3,4-dihydro-2H-naphthalen-1-yl]propanoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C21H28O4/c1-7-15-14(4)17(22)12-18-20(5,10-9-19(23)25-6)16(13(2)3)8-11-21(15,18)24/h7,12,16,24H,1-2,8-11H2,3-6H3/t16-,20-,21-/m1/s1 |
| InChI Key | ZFLNGJFWUHGMKC-MAODMQOUSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C21H28O4 |
| Molecular Weight | 344.40 g/mol |
| Exact Mass | 344.19875937 g/mol |
| Topological Polar Surface Area (TPSA) | 63.60 Ų |
| XlogP | 2.90 |
| CHEMBL477198 |
| 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 | 98.07% | 91.11% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 93.58% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.47% | 96.09% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 92.98% | 83.82% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 91.79% | 85.14% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 90.20% | 91.07% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.56% | 98.95% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 87.62% | 91.19% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.56% | 95.56% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.84% | 100.00% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 83.24% | 94.33% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.10% | 99.23% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 82.60% | 96.00% |
| CHEMBL1871 | P10275 | Androgen Receptor | 81.13% | 96.43% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 80.20% | 96.95% |
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.
| Trigonostemon viridissimus var. elegantissimus |
| PubChem | 25019246 |
| LOTUS | LTS0079733 |
| wikiData | Q105374292 |