Bz(2,3-diOH)-DL-Lys-DL-Ser(1)-(3).Bz(2,3-diOH)-DL-Lys-DL-Ser(2)-(1).Bz(2,3-diOH)-DL-Lys-DL-Ser(3)-(2)
| Internal ID | 44f630fa-cd2b-4143-b6fe-daa90e4e9c3f |
| Taxonomy | Organic acids and derivatives > Peptidomimetics > Depsipeptides > Cyclic depsipeptides |
| IUPAC Name | N-[6-amino-1-[[7,11-bis[[6-amino-2-[(2,3-dihydroxybenzoyl)amino]hexanoyl]amino]-2,6,10-trioxo-1,5,9-trioxacyclododec-3-yl]amino]-1-oxohexan-2-yl]-2,3-dihydroxybenzamide |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C48H63N9O18/c49-19-4-1-13-28(52-40(64)25-10-7-16-34(58)37(25)61)43(67)55-31-22-73-47(71)33(57-45(69)30(15-3-6-21-51)54-42(66)27-12-9-18-36(60)39(27)63)24-75-48(72)32(23-74-46(31)70)56-44(68)29(14-2-5-20-50)53-41(65)26-11-8-17-35(59)38(26)62/h7-12,16-18,28-33,58-63H,1-6,13-15,19-24,49-51H2,(H,52,64)(H,53,65)(H,54,66)(H,55,67)(H,56,68)(H,57,69) |
| InChI Key | UCQNSMWQRQITLO-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C48H63N9O18 |
| Molecular Weight | 1054.10 g/mol |
| Exact Mass | 1053.42910619 g/mol |
| Topological Polar Surface Area (TPSA) | 453.00 Ų |
| XlogP | 0.80 |
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.79% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.56% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.34% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.58% | 96.09% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 92.09% | 93.56% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.47% | 95.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.27% | 97.09% |
| CHEMBL4101 | P17612 | cAMP-dependent protein kinase alpha-catalytic subunit | 90.22% | 82.86% |
| CHEMBL3891 | P07384 | Calpain 1 | 89.63% | 93.04% |
| CHEMBL3038469 | P24941 | CDK2/Cyclin A | 89.63% | 91.38% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 86.99% | 99.17% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 86.27% | 98.33% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 84.13% | 91.19% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 83.72% | 93.10% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 83.66% | 100.00% |
| CHEMBL5261 | Q7L7X3 | Serine/threonine-protein kinase TAO1 | 83.05% | 89.33% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.06% | 90.71% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 81.01% | 95.50% |
| CHEMBL5028 | O14672 | ADAM10 | 80.91% | 97.50% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 80.15% | 92.88% |
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.
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| There are no matching plants. |
| PubChem | 76020825 |
| LOTUS | LTS0134550 |
| wikiData | Q104198057 |