8-[3-(2-Dimethylaminoethyl)-5-hydroxy-1h-indol-4-yl]-1-methyl-2,3,8,8a-tetrahydro-1h-pyrrolo[2,3-b]indol-3a-ol
| Internal ID | db1502c3-3f54-4fdd-8d00-a4a8d58e99a1 |
| Taxonomy | Organoheterocyclic compounds > Indoles and derivatives > Tryptamines and derivatives > Serotonins |
| IUPAC Name | 4-[3-[2-(dimethylamino)ethyl]-5-hydroxy-1H-indol-4-yl]-3-methyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-8b-ol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C23H28N4O2/c1-25(2)12-10-15-14-24-17-8-9-19(28)21(20(15)17)27-18-7-5-4-6-16(18)23(29)11-13-26(3)22(23)27/h4-9,14,22,24,28-29H,10-13H2,1-3H3 |
| InChI Key | LJSAOKIBMQABTP-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C23H28N4O2 |
| Molecular Weight | 392.50 g/mol |
| Exact Mass | 392.22122615 g/mol |
| Topological Polar Surface Area (TPSA) | 66.00 Ų |
| XlogP | 2.70 |
| There are no found synonyms. |
![2D Structure of 8-[3-(2-Dimethylaminoethyl)-5-hydroxy-1h-indol-4-yl]-1-methyl-2,3,8,8a-tetrahydro-1h-pyrrolo[2,3-b]indol-3a-ol](https://plantaedb.com/storage/docs/compounds/2023/11/7242ea80-8569-11ee-bae0-ab348d5a35d5.jpg "2D Structure of 8-[3-(2-Dimethylaminoethyl)-5-hydroxy-1h-indol-4-yl]-1-methyl-2,3,8,8a-tetrahydro-1h-pyrrolo[2,3-b]indol-3a-ol")
| 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 |
|---|---|---|---|---|
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 99.24% | 93.99% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.90% | 96.09% |
| CHEMBL240 | Q12809 | HERG | 98.35% | 89.76% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.24% | 91.11% |
| CHEMBL3155 | P34969 | Serotonin 7 (5-HT7) receptor | 94.95% | 90.71% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.25% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.69% | 95.56% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 92.63% | 94.75% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 90.77% | 88.56% |
| CHEMBL1914 | P06276 | Butyrylcholinesterase | 90.64% | 95.00% |
| CHEMBL228 | P31645 | Serotonin transporter | 90.36% | 95.51% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 89.72% | 90.00% |
| CHEMBL233 | P35372 | Mu opioid receptor | 89.64% | 97.93% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 87.27% | 82.69% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 86.81% | 95.17% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 86.21% | 85.11% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.03% | 89.00% |
| CHEMBL5805 | Q9NR97 | Toll-like receptor 8 | 84.01% | 96.25% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 83.76% | 90.08% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.35% | 95.89% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 81.95% | 96.67% |
| CHEMBL2095226 | P05556 | Integrin alpha-5/beta-1 | 81.60% | 96.39% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 80.71% | 93.04% |
| CHEMBL2535 | P11166 | Glucose transporter | 80.69% | 98.75% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 80.58% | 89.62% |
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.
| Arundo donax |
| PubChem | 129819411 |
| LOTUS | LTS0081510 |
| wikiData | Q105152750 |