Chrotacumine D
| Internal ID | 12ee0848-7f92-4b99-b5f2-0b1f6c767e37 |
| Taxonomy | Organoheterocyclic compounds > Piperidines > Phenylpiperidines |
| IUPAC Name | [(3S,4R)-4-(5,7-dihydroxy-2-methyl-4-oxochromen-8-yl)-1-methylpiperidin-3-yl] 3,4-dimethoxybenzoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C25H27NO8/c1-13-9-16(27)23-18(29)11-17(28)22(24(23)33-13)15-7-8-26(2)12-21(15)34-25(30)14-5-6-19(31-3)20(10-14)32-4/h5-6,9-11,15,21,28-29H,7-8,12H2,1-4H3/t15-,21+/m0/s1 |
| InChI Key | RIKKYJZEZQRRQP-YCRPNKLZSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C25H27NO8 |
| Molecular Weight | 469.50 g/mol |
| Exact Mass | 469.17366682 g/mol |
| Topological Polar Surface Area (TPSA) | 115.00 Ų |
| XlogP | 3.50 |
| CHEMBL1078325 |
| 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 |
|---|---|---|---|---|
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 97.31% | 93.99% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 96.96% | 92.94% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.83% | 98.95% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 93.26% | 94.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 92.97% | 95.89% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.11% | 95.56% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 90.46% | 89.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 90.30% | 98.75% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 89.37% | 90.71% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 88.74% | 93.03% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 88.59% | 90.00% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 88.57% | 91.19% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 88.40% | 99.17% |
| CHEMBL3864 | Q06124 | Protein-tyrosine phosphatase 2C | 87.42% | 94.42% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.20% | 86.33% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 86.69% | 99.23% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 85.97% | 89.62% |
| CHEMBL2094127 | P06493 | Cyclin-dependent kinase 1/cyclin B | 84.94% | 96.00% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 84.41% | 93.65% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 84.36% | 96.21% |
| CHEMBL3194 | P02766 | Transthyretin | 83.06% | 90.71% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 82.07% | 96.09% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 81.79% | 91.49% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 81.43% | 91.11% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 80.87% | 91.00% |
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.
| Dysoxylum acutangulum |
| PubChem | 44557092 |
| LOTUS | LTS0216642 |
| wikiData | Q105236925 |