Trigochinin E
| Internal ID | c4cd31b0-6a84-4181-bd02-3ff943dfd5a6 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Hexacarboxylic acids and derivatives |
| IUPAC Name | [(1R,2S,3S,5S,6R,7R,8S,9S,10R,11S,12S,13R,15R)-2,9,10,12-tetraacetyloxy-15-benzoyloxy-6-hydroxy-3,7,13-trimethyl-9-prop-1-en-2-yl-14-oxatetracyclo[11.1.1.01,5.06,11]pentadecan-8-yl] benzoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C42H48O14/c1-21(2)41(55-27(8)46)33(53-36(47)28-16-12-10-13-17-28)23(4)40(49)30-20-22(3)32(50-24(5)43)42(30)38(54-37(48)29-18-14-11-15-19-29)39(9,56-42)34(51-25(6)44)31(40)35(41)52-26(7)45/h10-19,22-23,30-35,38,49H,1,20H2,2-9H3/t22-,23+,30-,31-,32-,33-,34-,35+,38+,39+,40-,41-,42+/m0/s1 |
| InChI Key | PBZPORJXTWDATQ-CXQXIBKHSA-N |
| Popularity | 4 references in papers |
| Molecular Formula | C42H48O14 |
| Molecular Weight | 776.80 g/mol |
| Exact Mass | 776.30440620 g/mol |
| Topological Polar Surface Area (TPSA) | 187.00 Ų |
| XlogP | 5.10 |
| Trigochinin E |
| CHEBI:69181 |
| BDBM50194246 |
| Q27137521 |
| 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 |
|---|---|---|---|---|
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 96.92% | 86.33% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 93.87% | 90.17% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.40% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 92.83% | 91.49% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 89.82% | 99.23% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.30% | 98.95% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 88.34% | 82.69% |
| CHEMBL5028 | O14672 | ADAM10 | 87.24% | 97.50% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 86.92% | 96.09% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 86.75% | 91.19% |
| CHEMBL3475 | P05121 | Plasminogen activator inhibitor-1 | 84.30% | 83.00% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 84.14% | 95.50% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 83.98% | 97.79% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 83.70% | 95.56% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 83.24% | 94.62% |
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 | 46854799 |
| LOTUS | LTS0015351 |
| wikiData | Q27137521 |