Colletotrichamide D
| Internal ID | 1b10fdfe-aa6f-4548-aad5-f61a6f0232a8 |
| Taxonomy | Organic acids and derivatives > Peptidomimetics > Depsipeptides > Cyclic depsipeptides > Cyclic glycodepsipeptides |
| IUPAC Name | (3S,6R,9R,10R,12S)-6-benzyl-10-hydroxy-4,9-dimethyl-3-(2-methylpropyl)-12-[(2S,7R)-7-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctan-2-yl]-1-oxa-4,7-diazacyclododecane-2,5,8-trione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C36H58N2O11/c1-20(2)16-26-35(46)48-28(21(3)12-10-11-13-22(4)47-36-32(43)31(42)30(41)29(19-39)49-36)18-27(40)23(5)33(44)37-25(34(45)38(26)6)17-24-14-8-7-9-15-24/h7-9,14-15,20-23,25-32,36,39-43H,10-13,16-19H2,1-6H3,(H,37,44)/t21-,22+,23+,25+,26-,27+,28-,29+,30+,31-,32-,36+/m0/s1 |
| InChI Key | VDQDKIJMODEVDF-IZIMMZBXSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C36H58N2O11 |
| Molecular Weight | 694.90 g/mol |
| Exact Mass | 694.40406067 g/mol |
| Topological Polar Surface Area (TPSA) | 195.00 Ų |
| XlogP | 3.30 |
| 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 | 99.44% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.79% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.94% | 95.56% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 95.25% | 85.14% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.45% | 91.11% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 91.81% | 93.00% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 91.07% | 95.50% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 90.65% | 97.64% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 90.17% | 90.08% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 89.30% | 97.25% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.52% | 86.33% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 88.34% | 94.73% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 87.84% | 95.93% |
| CHEMBL1949 | P62937 | Cyclophilin A | 86.53% | 98.57% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.23% | 97.09% |
| CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 86.09% | 95.83% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 85.72% | 96.47% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 85.66% | 83.82% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 85.39% | 96.00% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 85.19% | 95.89% |
| CHEMBL2563 | Q9UQL6 | Histone deacetylase 5 | 85.19% | 89.67% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 84.79% | 93.56% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 83.62% | 82.38% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 83.51% | 94.45% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.89% | 89.00% |
| CHEMBL3392948 | Q9NP59 | Solute carrier family 40 member 1 | 80.95% | 95.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 80.86% | 99.17% |
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 | 146682083 |
| LOTUS | LTS0203418 |
| wikiData | Q105284321 |