1-[(2R)-2,3-dihydroxy-3-methylbutyl]-2,7-dihydroxy-9H-carbazole-3-carbaldehyde
| Internal ID | f25e54ec-21c0-428d-b6e4-2af2faa29c5c |
| Taxonomy | Organoheterocyclic compounds > Indoles and derivatives > Carbazoles |
| IUPAC Name | 1-[(2R)-2,3-dihydroxy-3-methylbutyl]-2,7-dihydroxy-9H-carbazole-3-carbaldehyde |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C18H19NO5/c1-18(2,24)15(22)7-13-16-12(5-9(8-20)17(13)23)11-4-3-10(21)6-14(11)19-16/h3-6,8,15,19,21-24H,7H2,1-2H3/t15-/m1/s1 |
| InChI Key | JHHGPIIJIJILMJ-OAHLLOKOSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C18H19NO5 |
| Molecular Weight | 329.30 g/mol |
| Exact Mass | 329.12632271 g/mol |
| Topological Polar Surface Area (TPSA) | 114.00 Ų |
| XlogP | 2.30 |
| There are no found synonyms. |
![2D Structure of 1-[(2R)-2,3-dihydroxy-3-methylbutyl]-2,7-dihydroxy-9H-carbazole-3-carbaldehyde](https://plantaedb.com/storage/docs/compounds/2023/11/1-2r-23-dihydroxy-3-methylbutyl-27-dihydroxy-9h-carbazole-3-carbaldehyde.jpg "2D Structure of 1-[(2R)-2,3-dihydroxy-3-methylbutyl]-2,7-dihydroxy-9H-carbazole-3-carbaldehyde")
| 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 | 98.68% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.47% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.73% | 91.11% |
| CHEMBL1163101 | O75460 | Serine/threonine-protein kinase/endoribonuclease IRE1 | 94.54% | 98.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 94.41% | 91.49% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.36% | 95.56% |
| CHEMBL1907594 | P30926 | Neuronal acetylcholine receptor; alpha3/beta4 | 91.54% | 97.23% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 91.33% | 91.71% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 89.71% | 96.09% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 89.55% | 94.73% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.57% | 89.00% |
| CHEMBL1781 | P11387 | DNA topoisomerase I | 88.05% | 97.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 85.65% | 99.17% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 85.32% | 89.62% |
| CHEMBL242 | Q92731 | Estrogen receptor beta | 85.19% | 98.35% |
| CHEMBL213 | P08588 | Beta-1 adrenergic receptor | 84.67% | 95.56% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 84.23% | 90.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.21% | 86.33% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 82.39% | 98.59% |
| CHEMBL2535 | P11166 | Glucose transporter | 81.35% | 98.75% |
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.
| Clausena excavata |
| PubChem | 162963371 |
| LOTUS | LTS0085848 |
| wikiData | Q105127977 |