Desmethylisaridin C1
| Internal ID | ff651bdd-81af-4942-b2f1-d146839b6a51 |
| Taxonomy | Organic acids and derivatives > Peptidomimetics > Depsipeptides > Cyclic depsipeptides |
| IUPAC Name | (3S,10S,13S,16S,19S)-16-benzyl-14-methyl-3,10-bis(2-methylpropyl)-13-propan-2-yl-4-oxa-1,8,11,14,17-pentazabicyclo[17.3.0]docosane-2,5,9,12,15,18-hexone |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C35H53N5O7/c1-21(2)18-25-31(42)36-16-15-29(41)47-28(19-22(3)4)35(46)40-17-11-14-27(40)32(43)38-26(20-24-12-9-8-10-13-24)34(45)39(7)30(23(5)6)33(44)37-25/h8-10,12-13,21-23,25-28,30H,11,14-20H2,1-7H3,(H,36,42)(H,37,44)(H,38,43)/t25-,26-,27-,28-,30-/m0/s1 |
| InChI Key | PQDIYZGMQUULNQ-KGEMVMTLSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C35H53N5O7 |
| Molecular Weight | 655.80 g/mol |
| Exact Mass | 655.39449905 g/mol |
| Topological Polar Surface Area (TPSA) | 154.00 Ų |
| XlogP | 4.20 |
| CHEMBL3286770 |
| 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 | 99.81% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.05% | 96.09% |
| CHEMBL333 | P08253 | Matrix metalloproteinase-2 | 96.17% | 96.31% |
| CHEMBL3524 | P56524 | Histone deacetylase 4 | 95.50% | 92.97% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 94.28% | 97.64% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.22% | 95.56% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 92.56% | 82.38% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 91.61% | 90.08% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 89.79% | 95.89% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 89.28% | 85.14% |
| CHEMBL204 | P00734 | Thrombin | 88.59% | 96.01% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 88.38% | 97.05% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.16% | 97.09% |
| CHEMBL4616 | Q92847 | Ghrelin receptor | 86.59% | 92.00% |
| CHEMBL228 | P31645 | Serotonin transporter | 86.53% | 95.51% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 86.05% | 97.25% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 85.55% | 93.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.49% | 94.45% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.30% | 86.33% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 83.92% | 97.14% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 82.61% | 95.93% |
| CHEMBL4588 | P22894 | Matrix metalloproteinase 8 | 82.52% | 94.66% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 82.28% | 98.59% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 80.67% | 88.56% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 80.51% | 99.18% |
| CHEMBL3202 | P48147 | Prolyl endopeptidase | 80.40% | 90.65% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 80.30% | 90.93% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 80.25% | 99.23% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 86765315 |
| LOTUS | LTS0197650 |
| wikiData | Q77572153 |