(+/-)-gelliusine D
| Internal ID | 568bcf07-2d8b-483c-925a-c149bbe55771 |
| Taxonomy | Organoheterocyclic compounds > Indoles and derivatives > Tryptamines and derivatives > Serotonins |
| IUPAC Name | 4-[2-amino-1-(6-bromo-1H-indol-3-yl)ethyl]-3-(2-aminoethyl)-1H-indol-5-ol |
| SMILES (Canonical) | C1=CC2=C(C=C1Br)NC=C2C(CN)C3=C(C=CC4=C3C(=CN4)CCN)O |
| SMILES (Isomeric) | C1=CC2=C(C=C1Br)NC=C2C(CN)C3=C(C=CC4=C3C(=CN4)CCN)O |
| InChI | InChI=1S/C20H21BrN4O/c21-12-1-2-13-15(10-25-17(13)7-12)14(8-23)20-18(26)4-3-16-19(20)11(5-6-22)9-24-16/h1-4,7,9-10,14,24-26H,5-6,8,22-23H2 |
| InChI Key | CYOQHWKPIREKQD-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C20H21BrN4O |
| Molecular Weight | 413.30 g/mol |
| Exact Mass | 412.08987 g/mol |
| Topological Polar Surface Area (TPSA) | 104.00 Ų |
| XlogP | 2.60 |
| There are no found synonyms. |
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.77% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 98.22% | 94.45% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 95.36% | 89.62% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 94.24% | 91.49% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.72% | 96.09% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 93.14% | 99.15% |
| CHEMBL1907594 | P30926 | Neuronal acetylcholine receptor; alpha3/beta4 | 93.08% | 97.23% |
| CHEMBL2292 | Q13627 | Dual-specificity tyrosine-phosphorylation regulated kinase 1A | 92.90% | 93.24% |
| CHEMBL213 | P08588 | Beta-1 adrenergic receptor | 92.05% | 95.56% |
| CHEMBL3959 | P16083 | Quinone reductase 2 | 91.43% | 89.49% |
| CHEMBL4581 | P52732 | Kinesin-like protein 1 | 91.09% | 93.18% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.29% | 95.56% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 89.52% | 91.71% |
| CHEMBL3038469 | P24941 | CDK2/Cyclin A | 89.48% | 91.38% |
| CHEMBL5443 | O00311 | Cell division cycle 7-related protein kinase | 87.36% | 96.11% |
| CHEMBL3155 | P34969 | Serotonin 7 (5-HT7) receptor | 85.98% | 90.71% |
| CHEMBL4101 | P17612 | cAMP-dependent protein kinase alpha-catalytic subunit | 85.35% | 82.86% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 83.93% | 94.62% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 83.76% | 94.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 82.12% | 98.75% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 81.96% | 99.17% |
| CHEMBL3230 | O95977 | Sphingosine 1-phosphate receptor Edg-6 | 80.89% | 94.01% |
| CHEMBL2581 | P07339 | Cathepsin D | 80.49% | 98.95% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 9979096 |
| LOTUS | LTS0186171 |
| wikiData | Q104972446 |