Chaetocochin C
| Internal ID | 5e210ea2-00b4-4c09-b3f3-c999d2da1e80 |
| Taxonomy | Organoheterocyclic compounds > Indoles and derivatives > Pyrroloindoles |
| IUPAC Name | (1S,3S,11R,14S)-14-(hydroxymethyl)-3-[3-[[(2S,5S)-5-(hydroxymethyl)-1,4-dimethyl-2,5-bis(methylsulfanyl)-3,6-dioxopiperazin-2-yl]methyl]indol-1-yl]-18-methyl-15,16-dithia-10,12,18-triazapentacyclo[12.2.2.01,12.03,11.04,9]octadeca-4,6,8-triene-13,17-dione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C33H36N6O6S4/c1-35-27(44)32(17-40,47-5)36(2)25(42)30(35,46-4)14-19-15-38(23-13-9-6-10-20(19)23)29-16-31-26(43)37(3)33(18-41,49-48-31)28(45)39(31)24(29)34-22-12-8-7-11-21(22)29/h6-13,15,24,34,40-41H,14,16-18H2,1-5H3/t24-,29+,30+,31+,32+,33+/m1/s1 |
| InChI Key | DNXUJPNYOCDWFN-ZIBPZDQUSA-N |
| Popularity | 4 references in papers |
| Molecular Formula | C33H36N6O6S4 |
| Molecular Weight | 740.90 g/mol |
| Exact Mass | 740.15791758 g/mol |
| Topological Polar Surface Area (TPSA) | 240.00 Ų |
| XlogP | 2.70 |
| CHEMBL504373 |
| 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 | 98.89% | 98.95% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 98.80% | 85.14% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 98.67% | 94.75% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 97.72% | 90.08% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 97.72% | 93.99% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.72% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 97.56% | 95.56% |
| CHEMBL3524 | P56524 | Histone deacetylase 4 | 96.62% | 92.97% |
| CHEMBL325 | Q13547 | Histone deacetylase 1 | 96.10% | 95.92% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 95.36% | 89.63% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 94.86% | 98.59% |
| CHEMBL1914 | P06276 | Butyrylcholinesterase | 94.11% | 95.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.49% | 91.11% |
| CHEMBL4145 | Q9UKV0 | Histone deacetylase 9 | 91.86% | 85.49% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 91.50% | 99.23% |
| CHEMBL1829 | O15379 | Histone deacetylase 3 | 90.46% | 95.00% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 89.81% | 88.56% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.75% | 89.00% |
| CHEMBL228 | P31645 | Serotonin transporter | 88.04% | 95.51% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 86.31% | 97.25% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 86.11% | 98.03% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 83.97% | 93.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 82.44% | 90.00% |
| CHEMBL3384 | Q16512 | Protein kinase N1 | 80.14% | 80.71% |
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 | 44559109 |
| LOTUS | LTS0085498 |
| wikiData | Q77568865 |