Chaetocochin J
| Internal ID | b9397b5b-3ab3-47cc-b5e2-fc8ddb15fa4d |
| Taxonomy | Organoheterocyclic compounds > Indoles and derivatives > Pyrroloindoles |
| IUPAC Name | (1S,6S)-1-(hydroxymethyl)-6-[[1-[(1R)-4-(hydroxymethyl)-5-methyl-3,6-dioxo-2,5,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-7,10,12,14-tetraen-9-yl]indol-3-yl]methyl]-7,9-dimethyl-2,3,4,5-tetrathia-7,9-diazabicyclo[4.2.2]decane-8,10-dione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C31H30N6O6S4/c1-33-23(15-38)25(41)37-22(24(33)40)13-29(19-9-5-6-10-20(19)32-26(29)37)36-14-17(18-8-4-7-11-21(18)36)12-30-27(42)35(3)31(16-39,28(43)34(30)2)45-47-46-44-30/h4-11,13-14,23,26,32,38-39H,12,15-16H2,1-3H3/t23?,26-,29?,30+,31+/m1/s1 |
| InChI Key | DNOIOYRQDAJQMV-QMKBPJJVSA-N |
| Popularity | 4 references in papers |
| Molecular Formula | C31H30N6O6S4 |
| Molecular Weight | 710.90 g/mol |
| Exact Mass | 710.11096739 g/mol |
| Topological Polar Surface Area (TPSA) | 240.00 Ų |
| XlogP | 2.60 |
| CHEMBL3590502 |
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 98.80% | 98.95% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 97.63% | 90.08% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.40% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.30% | 91.11% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 96.92% | 94.75% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 96.76% | 95.56% |
| CHEMBL202 | P00374 | Dihydrofolate reductase | 96.69% | 89.92% |
| CHEMBL3524 | P56524 | Histone deacetylase 4 | 96.06% | 92.97% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 93.62% | 94.62% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 93.11% | 97.25% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 91.10% | 85.14% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 90.93% | 93.99% |
| CHEMBL4145 | Q9UKV0 | Histone deacetylase 9 | 90.33% | 85.49% |
| CHEMBL2716 | Q8WUI4 | Histone deacetylase 7 | 90.31% | 89.44% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 88.80% | 90.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.64% | 99.23% |
| CHEMBL4895 | P30530 | Tyrosine-protein kinase receptor UFO | 87.02% | 90.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.83% | 89.00% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 85.01% | 88.56% |
| CHEMBL2563 | Q9UQL6 | Histone deacetylase 5 | 84.93% | 89.67% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 83.47% | 93.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.82% | 86.33% |
| CHEMBL3004 | P33527 | Multidrug resistance-associated protein 1 | 82.59% | 96.37% |
| CHEMBL4531 | P17931 | Galectin-3 | 80.91% | 96.90% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 80.08% | 94.73% |
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 | 122181662 |
| LOTUS | LTS0136543 |
| wikiData | Q75055277 |