2-[1-[(3aS,8bR)-3-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-8b-yl]indol-3-yl]-N-methylethanamine
| Internal ID | 38a3e141-5ee1-499a-998a-3b0bc0e4a931 |
| Taxonomy | Organoheterocyclic compounds > Indoles and derivatives > Pyrroloindoles |
| IUPAC Name | 2-[1-[(3aS,8bR)-3-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-8b-yl]indol-3-yl]-N-methylethanamine |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C22H26N4/c1-23-13-11-16-15-26(20-10-6-3-7-17(16)20)22-12-14-25(2)21(22)24-19-9-5-4-8-18(19)22/h3-10,15,21,23-24H,11-14H2,1-2H3/t21-,22+/m0/s1 |
| InChI Key | YKHLGSHSEBZEJT-FCHUYYIVSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C22H26N4 |
| Molecular Weight | 346.50 g/mol |
| Exact Mass | 346.21574685 g/mol |
| Topological Polar Surface Area (TPSA) | 32.20 Ų |
| XlogP | 3.40 |
| There are no found synonyms. |
![2D Structure of 2-[1-[(3aS,8bR)-3-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-8b-yl]indol-3-yl]-N-methylethanamine](https://plantaedb.com/storage/docs/compounds/2023/11/2-1-3as8br-3-methyl-123a4-tetrahydropyrrolo23-bindol-8b-ylindol-3-yl-n-methylethanamine.jpg "2D Structure of 2-[1-[(3aS,8bR)-3-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-8b-yl]indol-3-yl]-N-methylethanamine")
| 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 |
|---|---|---|---|---|
| CHEMBL1914 | P06276 | Butyrylcholinesterase | 98.90% | 95.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.83% | 96.09% |
| CHEMBL240 | Q12809 | HERG | 98.28% | 89.76% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 98.20% | 97.25% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 97.65% | 95.17% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 96.66% | 98.59% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 95.90% | 94.75% |
| CHEMBL222 | P23975 | Norepinephrine transporter | 95.54% | 96.06% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.16% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.62% | 91.11% |
| CHEMBL3155 | P34969 | Serotonin 7 (5-HT7) receptor | 93.18% | 90.71% |
| CHEMBL228 | P31645 | Serotonin transporter | 93.11% | 95.51% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.51% | 95.56% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 91.17% | 82.69% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 90.88% | 85.14% |
| CHEMBL5805 | Q9NR97 | Toll-like receptor 8 | 90.52% | 96.25% |
| CHEMBL2095226 | P05556 | Integrin alpha-5/beta-1 | 90.41% | 96.39% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 88.68% | 90.08% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 88.54% | 90.00% |
| CHEMBL202 | P00374 | Dihydrofolate reductase | 88.43% | 89.92% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 87.14% | 93.99% |
| CHEMBL3524 | P56524 | Histone deacetylase 4 | 85.99% | 92.97% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 85.78% | 98.03% |
| CHEMBL5028 | O14672 | ADAM10 | 84.41% | 97.50% |
| CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 84.41% | 95.83% |
| CHEMBL4588 | P22894 | Matrix metalloproteinase 8 | 84.30% | 94.66% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 83.78% | 89.62% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 83.62% | 88.56% |
| CHEMBL4145 | Q9UKV0 | Histone deacetylase 9 | 83.43% | 85.49% |
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.
| Psychotria calocarpa |
| PubChem | 102041741 |
| LOTUS | LTS0093603 |
| wikiData | Q105349691 |