Grossularine 1
| Internal ID | 6f28a4c5-17e1-4bcb-abbc-45eeb90712b4 |
| Taxonomy | Organoheterocyclic compounds > Indoles and derivatives > Indolecarboxylic acids and derivatives |
| IUPAC Name | [10-amino-14-(dimethylamino)-8,13,15-triazatetracyclo[7.6.0.02,7.011,15]pentadeca-1,3,5,7,9,11,13-heptaen-12-yl]-(1H-indol-3-yl)methanone |
| SMILES (Canonical) | CN(C)C1=NC(=C2N1C3=C4C=CC=CC4=NC3=C2N)C(=O)C5=CNC6=CC=CC=C65 |
| SMILES (Isomeric) | CN(C)C1=NC(=C2N1C3=C4C=CC=CC4=NC3=C2N)C(=O)C5=CNC6=CC=CC=C65 |
| InChI | InChI=1S/C23H18N6O/c1-28(2)23-27-19(22(30)14-11-25-15-9-5-3-7-12(14)15)21-17(24)18-20(29(21)23)13-8-4-6-10-16(13)26-18/h3-11,25H,24H2,1-2H3 |
| InChI Key | FCNJUPUMHGDABC-UHFFFAOYSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C23H18N6O |
| Molecular Weight | 394.40 g/mol |
| Exact Mass | 394.15420922 g/mol |
| Topological Polar Surface Area (TPSA) | 92.30 Ų |
| XlogP | 4.10 |
| 94935-97-4 |
| [10-amino-14-(dimethylamino)-8,13,15-triazatetracyclo[7.6.0.02,7.011,15]pentadeca-1,3,5,7,9,11,13-heptaen-12-yl]-(1H-indol-3-yl)methanone |
| Grossularine-1 |
| DTXSID70915213 |
| [4-Amino-1-(dimethylamino)imidazo[1',5':1,5]pyrrolo[3,2-b]indol-3-yl](1H-indol-3-yl)methanone |
| Methanone, (3-(dimethylamino)-9,10-dihydro-10-iminoimidazo(1',5':1,5)pyrrolo(3,2-b)indol-1-yl)-1H-indol-3-yl- |
| 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 | 96.13% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.46% | 98.95% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 94.86% | 90.17% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 91.48% | 94.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.52% | 95.56% |
| CHEMBL3959 | P16083 | Quinone reductase 2 | 89.71% | 89.49% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 88.13% | 99.23% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 85.85% | 83.82% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 85.10% | 96.67% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 81.93% | 93.03% |
| CHEMBL2535 | P11166 | Glucose transporter | 81.70% | 98.75% |
| CHEMBL3384 | Q16512 | Protein kinase N1 | 81.66% | 80.71% |
| CHEMBL1287628 | Q9Y5S8 | NADPH oxidase 1 | 80.92% | 95.48% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 80.87% | 91.11% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 80.55% | 93.65% |
| CHEMBL1868 | P17948 | Vascular endothelial growth factor receptor 1 | 80.47% | 96.47% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 80.14% | 93.10% |
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.
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| There are no matching plants. |
| PubChem | 146866 |
| LOTUS | LTS0133324 |
| wikiData | Q82886130 |