Chetomin D
| Internal ID | 1a04ab67-4529-462e-a21e-efbf99372edf |
| Taxonomy | Organoheterocyclic compounds > Indoles and derivatives > Pyrroloindoles |
| IUPAC Name | (1R,3S,11R,14R)-14-(hydroxymethyl)-3-[3-[[(1R,5R)-5-(hydroxymethyl)-6,8-dimethyl-7,9-dioxo-2,3,4-trithia-6,8-diazabicyclo[3.2.2]nonan-1-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/C31H30N6O6S5/c1-33-25(42)30(15-38)34(2)23(40)28(33,46-48-47-30)12-17-13-36(21-11-7-4-8-18(17)21)27-14-29-24(41)35(3)31(16-39,45-44-29)26(43)37(29)22(27)32-20-10-6-5-9-19(20)27/h4-11,13,22,32,38-39H,12,14-16H2,1-3H3/t22-,27+,28-,29-,30-,31-/m1/s1 |
| InChI Key | VUMVXEZVOVLGND-NOUXEJRGSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C31H30N6O6S5 |
| Molecular Weight | 742.90 g/mol |
| Exact Mass | 742.08303857 g/mol |
| Topological Polar Surface Area (TPSA) | 265.00 Ų |
| XlogP | 2.30 |
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 98.90% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 97.68% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.53% | 96.09% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 97.12% | 94.75% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 96.82% | 90.08% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 96.79% | 93.99% |
| CHEMBL3524 | P56524 | Histone deacetylase 4 | 96.69% | 92.97% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 95.63% | 85.14% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.15% | 91.11% |
| CHEMBL1914 | P06276 | Butyrylcholinesterase | 93.35% | 95.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 90.81% | 89.00% |
| CHEMBL4145 | Q9UKV0 | Histone deacetylase 9 | 90.76% | 85.49% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 90.46% | 99.23% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 90.15% | 88.56% |
| CHEMBL325 | Q13547 | Histone deacetylase 1 | 90.04% | 95.92% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 89.95% | 98.59% |
| CHEMBL228 | P31645 | Serotonin transporter | 89.46% | 95.51% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 87.61% | 90.00% |
| CHEMBL202 | P00374 | Dihydrofolate reductase | 86.31% | 89.92% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 85.34% | 98.03% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 82.99% | 93.00% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 81.29% | 97.25% |
| CHEMBL3384 | Q16512 | Protein kinase N1 | 81.16% | 80.71% |
| CHEMBL4531 | P17931 | Galectin-3 | 80.10% | 96.90% |
| CHEMBL2095226 | P05556 | Integrin alpha-5/beta-1 | 80.01% | 96.39% |
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 | 139591139 |
| LOTUS | LTS0125355 |
| wikiData | Q105297319 |