2,5,16-Trihydroxy-5,9,10-trimethyl-12-(2-methylpropyl)-13,19-diazapentacyclo[14.2.1.01,6.07,15.011,15]nonadec-8-ene-14,18-dione
| Internal ID | ead9546b-518b-419d-bcc9-068967da2946 |
| Taxonomy | Organoheterocyclic compounds > Quinolines and derivatives > Benzoquinolines > Phenanthridines and derivatives |
| IUPAC Name | 2,5,16-trihydroxy-5,9,10-trimethyl-12-(2-methylpropyl)-13,19-diazapentacyclo[14.2.1.01,6.07,15.011,15]nonadec-8-ene-14,18-dione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C24H36N2O5/c1-11(2)8-15-18-13(4)12(3)9-14-19-21(5,30)7-6-16(27)24(19)17(28)10-22(31,26-24)23(14,18)20(29)25-15/h9,11,13-16,18-19,26-27,30-31H,6-8,10H2,1-5H3,(H,25,29) |
| InChI Key | KIBZWQUXTPVHRM-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C24H36N2O5 |
| Molecular Weight | 432.60 g/mol |
| Exact Mass | 432.26242225 g/mol |
| Topological Polar Surface Area (TPSA) | 119.00 Ų |
| XlogP | 0.10 |
| There are no found synonyms. |
![2D Structure of 2,5,16-Trihydroxy-5,9,10-trimethyl-12-(2-methylpropyl)-13,19-diazapentacyclo[14.2.1.01,6.07,15.011,15]nonadec-8-ene-14,18-dione](https://plantaedb.com/storage/docs/compounds/2023/11/3be31f10-8413-11ee-bf9d-a7b3f07f9f3c.jpg "2D Structure of 2,5,16-Trihydroxy-5,9,10-trimethyl-12-(2-methylpropyl)-13,19-diazapentacyclo[14.2.1.01,6.07,15.011,15]nonadec-8-ene-14,18-dione")
| 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 |
|---|---|---|---|---|
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 96.83% | 94.75% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.64% | 98.95% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 94.76% | 97.25% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 94.03% | 97.09% |
| CHEMBL4072 | P07858 | Cathepsin B | 93.92% | 93.67% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 91.29% | 97.79% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.25% | 96.09% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 90.58% | 100.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 90.51% | 91.11% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 89.86% | 90.71% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.53% | 95.56% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 86.94% | 93.04% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 85.91% | 90.08% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.65% | 99.23% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 84.58% | 93.03% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 84.51% | 100.00% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 84.33% | 93.99% |
| CHEMBL4803 | P29474 | Nitric-oxide synthase, endothelial | 83.14% | 86.00% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 82.64% | 82.69% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 82.46% | 90.93% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 82.29% | 90.17% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 82.04% | 93.56% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 81.05% | 90.24% |
| CHEMBL213 | P08588 | Beta-1 adrenergic receptor | 81.03% | 95.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 80.93% | 94.45% |
| CHEMBL3837 | P07711 | Cathepsin L | 80.20% | 96.61% |
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 | 162814844 |
| LOTUS | LTS0077057 |
| wikiData | Q104170303 |