Nor-Batzelladine L
| Internal ID | e2b0c91a-4672-4ad5-8903-f4d882e698be |
| Taxonomy | Organoheterocyclic compounds > Diazines > Pyrimidines and pyrimidine derivatives > Hydropyrimidines |
| IUPAC Name | 9-[(1R,4S,6R,10S)-10-methyl-7,9,12-triazatricyclo[6.3.1.04,12]dodec-7-en-6-yl]nonan-2-yl (1S,4S,5S,6R,10R)-6-methyl-10-octyl-7,9,12-triazatricyclo[6.3.1.04,12]dodec-7-ene-5-carboxylate |
| SMILES (Canonical) | CCCCCCCCC1CC2CCC3N2C(=NC(C3C(=O)OC(C)CCCCCCCC4CC5CCC6N5C(=N4)NC(C6)C)C)N1 |
| SMILES (Isomeric) | CCCCCCCC[C@@H]1C[C@@H]2CC[C@@H]3N2C(=N[C@@H]([C@@H]3C(=O)OC(C)CCCCCCC[C@@H]4C[C@@H]5CC[C@H]6N5C(=N4)N[C@H](C6)C)C)N1 |
| InChI | InChI=1S/C38H66N6O2/c1-5-6-7-8-11-14-18-30-25-33-21-22-34-35(28(4)40-38(42-30)44(33)34)36(45)46-27(3)16-13-10-9-12-15-17-29-24-32-20-19-31-23-26(2)39-37(41-29)43(31)32/h26-35H,5-25H2,1-4H3,(H,39,41)(H,40,42)/t26-,27?,28+,29+,30+,31+,32-,33-,34-,35-/m0/s1 |
| InChI Key | HGZBYTYKEVODQE-LZBHNGPDSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C38H66N6O2 |
| Molecular Weight | 639.00 g/mol |
| Exact Mass | 638.52472537 g/mol |
| Topological Polar Surface Area (TPSA) | 81.60 Ų |
| XlogP | 8.30 |
| CHEMBL1077542 |
| 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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 99.19% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.58% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.80% | 98.95% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 95.83% | 97.09% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 94.90% | 97.21% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 94.16% | 92.86% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.00% | 94.45% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 93.23% | 93.56% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 91.18% | 99.17% |
| CHEMBL4462 | Q8IXJ6 | NAD-dependent deacetylase sirtuin 2 | 90.12% | 90.24% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 90.09% | 100.00% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 89.90% | 96.90% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 89.38% | 91.81% |
| CHEMBL4072 | P07858 | Cathepsin B | 88.59% | 93.67% |
| CHEMBL238 | Q01959 | Dopamine transporter | 88.29% | 95.88% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 88.24% | 95.50% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 87.24% | 97.29% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 86.97% | 82.69% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 86.75% | 97.64% |
| CHEMBL3976 | Q9UHL4 | Dipeptidyl peptidase II | 85.88% | 92.29% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 85.55% | 96.95% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 85.35% | 90.08% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 84.22% | 100.00% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 83.29% | 89.05% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 83.02% | 92.88% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 82.75% | 96.47% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 81.35% | 96.00% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 81.02% | 95.89% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 80.80% | 91.19% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 80.72% | 90.71% |
| CHEMBL1907594 | P30926 | Neuronal acetylcholine receptor; alpha3/beta4 | 80.53% | 97.23% |
| CHEMBL4660 | P28907 | Lymphocyte differentiation antigen CD38 | 80.41% | 95.27% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 80.06% | 96.21% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 44631992 |
| LOTUS | LTS0074116 |
| wikiData | Q105028093 |