Trichodin A
| Internal ID | 8872384e-95e1-4972-9912-078a7f5abd79 |
| Taxonomy | Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > Chromenopyridines |
| IUPAC Name | (6S,6aR,8R,10S,10aR)-4-(4-hydroxyphenyl)-6,8,10-trimethyl-2,6,6a,7,8,9,10,10a-octahydroisochromeno[4,3-c]pyridin-1-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C21H25NO3/c1-11-8-12(2)18-16(9-11)13(3)25-20-17(10-22-21(24)19(18)20)14-4-6-15(23)7-5-14/h4-7,10-13,16,18,23H,8-9H2,1-3H3,(H,22,24)/t11-,12+,13+,16+,18-/m1/s1 |
| InChI Key | JKHFIPJZPCQUBU-AEXRFDBCSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C21H25NO3 |
| Molecular Weight | 339.40 g/mol |
| Exact Mass | 339.18344366 g/mol |
| Topological Polar Surface Area (TPSA) | 58.60 Ų |
| XlogP | 3.50 |
| There are no found synonyms. |
| 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 |
|---|---|---|---|---|
| CHEMBL242 | Q92731 | Estrogen receptor beta | 92.51% | 98.35% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.19% | 97.09% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 92.03% | 89.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.26% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 89.71% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.57% | 95.56% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 88.18% | 97.28% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.77% | 99.23% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 87.19% | 91.11% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.91% | 100.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.53% | 86.33% |
| CHEMBL3038469 | P24941 | CDK2/Cyclin A | 86.09% | 91.38% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 84.78% | 94.00% |
| CHEMBL2345 | P51812 | Ribosomal protein S6 kinase alpha 3 | 82.30% | 95.64% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 80.31% | 97.79% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 80.08% | 92.94% |
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.
| There are no matching plants. |
| PubChem | 139584390 |
| LOTUS | LTS0082829 |
| wikiData | Q77311063 |