Kitacinnamycin G
| Internal ID | 267ef30a-cce9-4753-9785-e97c0c489593 |
| Taxonomy | Organic acids and derivatives > Peptidomimetics > Depsipeptides > Cyclic depsipeptides |
| IUPAC Name | (E)-N-[(3S,6S,15R,18S,21S,24R,27R,28R)-24-(2-amino-2-oxoethyl)-18-benzyl-19,28-dimethyl-3-(2-methylpropyl)-2,5,8,11,14,17,20,23,26-nonaoxo-6,15,21-tri(propan-2-yl)-1-oxa-4,7,10,13,16,19,22,25-octazacyclooctacos-27-yl]-3-[2-[(E)-prop-1-enyl]phenyl]prop-2-enamide |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C55H78N10O12/c1-12-18-36-21-16-17-22-37(36)23-24-42(67)61-48-34(10)77-55(76)39(25-30(2)3)60-52(73)46(32(6)7)62-44(69)29-57-43(68)28-58-51(72)45(31(4)5)63-50(71)40(26-35-19-14-13-15-20-35)65(11)54(75)47(33(8)9)64-49(70)38(27-41(56)66)59-53(48)74/h12-24,30-34,38-40,45-48H,25-29H2,1-11H3,(H2,56,66)(H,57,68)(H,58,72)(H,59,74)(H,60,73)(H,61,67)(H,62,69)(H,63,71)(H,64,70)/b18-12+,24-23+/t34-,38-,39+,40+,45-,46+,47+,48-/m1/s1 |
| InChI Key | WZVJFWXQTVKYAX-AFPCMDACSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C55H78N10O12 |
| Molecular Weight | 1071.30 g/mol |
| Exact Mass | 1070.58006796 g/mol |
| Topological Polar Surface Area (TPSA) | 323.00 Ų |
| XlogP | 4.40 |
| 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 | 99.59% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.91% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.78% | 95.56% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.52% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 95.06% | 85.14% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 94.99% | 97.64% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 94.81% | 90.17% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 94.43% | 93.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.15% | 86.33% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.08% | 89.00% |
| CHEMBL3384 | Q16512 | Protein kinase N1 | 88.99% | 80.71% |
| CHEMBL3392948 | Q9NP59 | Solute carrier family 40 member 1 | 88.39% | 95.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.79% | 94.45% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 86.19% | 96.47% |
| CHEMBL1949 | P62937 | Cyclophilin A | 84.95% | 98.57% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 83.69% | 90.08% |
| CHEMBL3891 | P07384 | Calpain 1 | 82.97% | 93.04% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 82.90% | 96.00% |
| CHEMBL2563 | Q9UQL6 | Histone deacetylase 5 | 81.98% | 89.67% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 81.69% | 98.59% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 81.65% | 97.14% |
| CHEMBL4071 | P08311 | Cathepsin G | 81.09% | 94.64% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 81.03% | 99.17% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 80.60% | 90.00% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 80.44% | 95.89% |
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 | 146682818 |
| LOTUS | LTS0164153 |
| wikiData | Q105323567 |