(1R,2S,12R,15S)-12-(2-hydroxypropan-2-yl)-7-methoxy-10,13,19-triazapentacyclo[11.7.0.03,11.04,9.015,19]icosa-3(11),4(9),5,7-tetraene-1,2-diol
| Internal ID | f3c3db25-ef7a-424f-b625-9d38c0143111 |
| Taxonomy | Organoheterocyclic compounds > Indoles and derivatives > Pyridoindoles > Beta carbolines |
| IUPAC Name | (1R,2S,12R,15S)-12-(2-hydroxypropan-2-yl)-7-methoxy-10,13,19-triazapentacyclo[11.7.0.03,11.04,9.015,19]icosa-3(11),4(9),5,7-tetraene-1,2-diol |
| SMILES (Canonical) | CC(C)(C1C2=C(C(C3(N1CC4CCCN4C3)O)O)C5=C(N2)C=C(C=C5)OC)O |
| SMILES (Isomeric) | CC(C)([C@H]1C2=C([C@@H]([C@]3(N1C[C@@H]4CCCN4C3)O)O)C5=C(N2)C=C(C=C5)OC)O |
| InChI | InChI=1S/C21H29N3O4/c1-20(2,26)18-17-16(14-7-6-13(28-3)9-15(14)22-17)19(25)21(27)11-23-8-4-5-12(23)10-24(18)21/h6-7,9,12,18-19,22,25-27H,4-5,8,10-11H2,1-3H3/t12-,18+,19-,21+/m0/s1 |
| InChI Key | RIXDFYAJYWMUMR-SFMXACBGSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C21H29N3O4 |
| Molecular Weight | 387.50 g/mol |
| Exact Mass | 387.21580641 g/mol |
| Topological Polar Surface Area (TPSA) | 92.20 Ų |
| XlogP | 0.40 |
| There are no found synonyms. |
![2D Structure of (1R,2S,12R,15S)-12-(2-hydroxypropan-2-yl)-7-methoxy-10,13,19-triazapentacyclo[11.7.0.03,11.04,9.015,19]icosa-3(11),4(9),5,7-tetraene-1,2-diol](https://plantaedb.com/storage/docs/compounds/2023/11/60a3d510-8626-11ee-89b1-b99413feea7f.jpg "2D Structure of (1R,2S,12R,15S)-12-(2-hydroxypropan-2-yl)-7-methoxy-10,13,19-triazapentacyclo[11.7.0.03,11.04,9.015,19]icosa-3(11),4(9),5,7-tetraene-1,2-diol")
| 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 |
|---|---|---|---|---|
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 99.30% | 94.45% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.20% | 91.11% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 96.79% | 93.99% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 96.78% | 92.94% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 96.32% | 95.89% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 94.92% | 97.25% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 93.82% | 97.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.39% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.13% | 95.56% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 92.01% | 91.03% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.08% | 96.09% |
| CHEMBL213 | P08588 | Beta-1 adrenergic receptor | 90.00% | 95.56% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 88.97% | 99.18% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 86.91% | 89.62% |
| CHEMBL2535 | P11166 | Glucose transporter | 84.92% | 98.75% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 84.46% | 94.00% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 83.22% | 92.62% |
| CHEMBL4235 | P28845 | 11-beta-hydroxysteroid dehydrogenase 1 | 82.81% | 97.98% |
| CHEMBL4895 | P30530 | Tyrosine-protein kinase receptor UFO | 82.00% | 90.95% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 80.93% | 98.33% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 80.43% | 86.92% |
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 | 46885581 |
| LOTUS | LTS0130789 |
| wikiData | Q105237228 |