2-(hydroxymethyl)-6-[(7-methoxy-1-methyl-4,9-dihydro-3H-pyrido[3,4-b]indol-8-yl)oxy]oxane-3,4,5-triol
| Internal ID | edc34e19-c4a3-48f6-aa97-5b3f1cbe8785 |
| Taxonomy | Alkaloids and derivatives > Harmala alkaloids |
| IUPAC Name | 2-(hydroxymethyl)-6-[(7-methoxy-1-methyl-4,9-dihydro-3H-pyrido[3,4-b]indol-8-yl)oxy]oxane-3,4,5-triol |
| SMILES (Canonical) | CC1=NCCC2=C1NC3=C2C=CC(=C3OC4C(C(C(C(O4)CO)O)O)O)OC |
| SMILES (Isomeric) | CC1=NCCC2=C1NC3=C2C=CC(=C3OC4C(C(C(C(O4)CO)O)O)O)OC |
| InChI | InChI=1S/C19H24N2O7/c1-8-13-10(5-6-20-8)9-3-4-11(26-2)18(14(9)21-13)28-19-17(25)16(24)15(23)12(7-22)27-19/h3-4,12,15-17,19,21-25H,5-7H2,1-2H3 |
| InChI Key | FJWRFZWSBCNWOG-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C19H24N2O7 |
| Molecular Weight | 392.40 g/mol |
| Exact Mass | 392.15835111 g/mol |
| Topological Polar Surface Area (TPSA) | 137.00 Ų |
| XlogP | -0.10 |
| There are no found synonyms. |
![2D Structure of 2-(hydroxymethyl)-6-[(7-methoxy-1-methyl-4,9-dihydro-3H-pyrido[3,4-b]indol-8-yl)oxy]oxane-3,4,5-triol](https://plantaedb.com/storage/docs/compounds/2023/11/869804d0-8626-11ee-8b8c-49a479bbe9bd.jpg "2D Structure of 2-(hydroxymethyl)-6-[(7-methoxy-1-methyl-4,9-dihydro-3H-pyrido[3,4-b]indol-8-yl)oxy]oxane-3,4,5-triol")
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.40% | 96.09% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 95.09% | 96.21% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 94.32% | 94.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.63% | 97.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 90.94% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.44% | 95.56% |
| CHEMBL4145 | Q9UKV0 | Histone deacetylase 9 | 89.65% | 85.49% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.31% | 98.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 88.93% | 99.17% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.88% | 95.89% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.36% | 94.45% |
| CHEMBL4302 | P08183 | P-glycoprotein 1 | 86.74% | 92.98% |
| CHEMBL213 | P08588 | Beta-1 adrenergic receptor | 85.23% | 95.56% |
| CHEMBL2535 | P11166 | Glucose transporter | 85.09% | 98.75% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 84.95% | 92.62% |
| CHEMBL5747 | Q92793 | CREB-binding protein | 83.80% | 95.12% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 81.86% | 86.33% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 81.34% | 89.62% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 81.20% | 95.89% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.00% | 100.00% |
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.
| Peganum harmala |
| PubChem | 162966983 |
| LOTUS | LTS0082911 |
| wikiData | Q104996383 |