[Dhb5]Nodularin
| Internal ID | 456a071a-4ba6-45c0-979e-60f279f6c2ff |
| Taxonomy | Organic acids and derivatives > Peptidomimetics > Hybrid peptides |
| IUPAC Name | (2Z,5R,6S,9S,12S,13S,16R)-9-[3-(diaminomethylideneamino)propyl]-2-ethylidene-12-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-6,13-dimethyl-3,7,10,14,19-pentaoxo-1,4,8,11,15-pentazacyclononadecane-5,16-dicarboxylic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C40H58N8O10/c1-7-27-36(52)48-33(39(56)57)25(5)35(51)46-29(14-11-19-43-40(41)42)37(53)45-28(24(4)34(50)47-30(38(54)55)17-18-32(49)44-27)16-15-22(2)20-23(3)31(58-6)21-26-12-9-8-10-13-26/h7-10,12-13,15-16,20,23-25,28-31,33H,11,14,17-19,21H2,1-6H3,(H,44,49)(H,45,53)(H,46,51)(H,47,50)(H,48,52)(H,54,55)(H,56,57)(H4,41,42,43)/b16-15+,22-20+,27-7-/t23-,24-,25-,28-,29-,30+,31-,33+/m0/s1 |
| InChI Key | GWNYQTAZKANWTF-NQXHTJFWSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C40H58N8O10 |
| Molecular Weight | 810.90 g/mol |
| Exact Mass | 810.42759008 g/mol |
| Topological Polar Surface Area (TPSA) | 294.00 Ų |
| XlogP | 1.50 |
| [Dhb5]Nodularin |
| [Dhb5]Nodularin R |
| [Dhb5]Nodularin-R |
| [dhb5]NOD-R |
| DTXSID101335093 |
![2D Structure of [Dhb5]Nodularin](https://plantaedb.com/storage/docs/compounds/2023/11/dhb5nodularin.jpg "2D Structure of [Dhb5]Nodularin")
| 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 |
|---|---|---|---|---|
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 99.90% | 83.82% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 99.52% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.86% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.42% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 97.11% | 94.45% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.26% | 95.56% |
| CHEMBL3837 | P07711 | Cathepsin L | 94.62% | 96.61% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 92.58% | 95.89% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 92.22% | 99.17% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.18% | 86.33% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.14% | 97.09% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 91.73% | 91.71% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 90.28% | 97.64% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 87.38% | 95.89% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 87.21% | 94.75% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 85.77% | 96.47% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 85.47% | 90.71% |
| CHEMBL2563 | Q9UQL6 | Histone deacetylase 5 | 84.84% | 89.67% |
| CHEMBL2535 | P11166 | Glucose transporter | 84.68% | 98.75% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 84.52% | 90.08% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 84.43% | 90.20% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 83.35% | 93.00% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 81.57% | 95.50% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 81.54% | 100.00% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 81.23% | 88.56% |
| CHEMBL2959 | Q08881 | Tyrosine-protein kinase ITK/TSK | 81.10% | 95.00% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 80.94% | 91.19% |
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 | 102080694 |
| LOTUS | LTS0130117 |
| wikiData | Q104246190 |