6-(1H-indol-3-yl)-7,7,9-trimethyl-6,6a,8,10a-tetrahydro-5H-indeno[2,1-b]indole
| Internal ID | 00864869-0b12-41a0-baac-b5db12084fec |
| Taxonomy | Organoheterocyclic compounds > Indoles and derivatives > Indoles > 3-alkylindoles |
| IUPAC Name | 6-(1H-indol-3-yl)-7,7,9-trimethyl-6,6a,8,10a-tetrahydro-5H-indeno[2,1-b]indole |
| SMILES (Canonical) | CC1=CC2C(C(C3=C2C4=CC=CC=C4N3)C5=CNC6=CC=CC=C65)C(C1)(C)C |
| SMILES (Isomeric) | CC1=CC2C(C(C3=C2C4=CC=CC=C4N3)C5=CNC6=CC=CC=C65)C(C1)(C)C |
| InChI | InChI=1S/C26H26N2/c1-15-12-18-22-17-9-5-7-11-21(17)28-25(22)23(24(18)26(2,3)13-15)19-14-27-20-10-6-4-8-16(19)20/h4-12,14,18,23-24,27-28H,13H2,1-3H3 |
| InChI Key | CZJCZWZKBWLSQX-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C26H26N2 |
| Molecular Weight | 366.50 g/mol |
| Exact Mass | 366.209598838 g/mol |
| Topological Polar Surface Area (TPSA) | 31.60 Ų |
| XlogP | 6.00 |
| There are no found synonyms. |
![2D Structure of 6-(1H-indol-3-yl)-7,7,9-trimethyl-6,6a,8,10a-tetrahydro-5H-indeno[2,1-b]indole](https://plantaedb.com/storage/docs/compounds/2023/11/6-1h-indol-3-yl-779-trimethyl-66a810a-tetrahydro-5h-indeno21-bindole.jpg "2D Structure of 6-(1H-indol-3-yl)-7,7,9-trimethyl-6,6a,8,10a-tetrahydro-5H-indeno[2,1-b]indole")
| 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 | 97.49% | 91.11% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 95.21% | 88.56% |
| CHEMBL4145 | Q9UKV0 | Histone deacetylase 9 | 94.30% | 85.49% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 94.23% | 94.62% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.72% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.68% | 96.09% |
| CHEMBL2716 | Q8WUI4 | Histone deacetylase 7 | 91.58% | 89.44% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 91.08% | 93.99% |
| CHEMBL3155 | P34969 | Serotonin 7 (5-HT7) receptor | 90.72% | 90.71% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 90.05% | 94.75% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 89.93% | 97.25% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.02% | 98.95% |
| CHEMBL213 | P08588 | Beta-1 adrenergic receptor | 88.44% | 95.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.46% | 94.45% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 87.16% | 94.08% |
| CHEMBL4523377 | Q86WV6 | Stimulator of interferon genes protein | 87.07% | 95.48% |
| CHEMBL3524 | P56524 | Histone deacetylase 4 | 86.84% | 92.97% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 85.07% | 85.14% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.03% | 97.09% |
| CHEMBL2959 | Q08881 | Tyrosine-protein kinase ITK/TSK | 83.96% | 95.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.89% | 89.00% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 83.72% | 98.59% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 83.57% | 89.62% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 82.63% | 97.79% |
| CHEMBL2095226 | P05556 | Integrin alpha-5/beta-1 | 82.37% | 96.39% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 82.16% | 93.03% |
| CHEMBL3227 | P41594 | Metabotropic glutamate receptor 5 | 81.69% | 96.42% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 80.75% | 92.94% |
| CHEMBL2095172 | P14867 | GABA-A receptor; alpha-1/beta-2/gamma-2 | 80.62% | 92.67% |
| CHEMBL2535 | P11166 | Glucose transporter | 80.41% | 98.75% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 80.36% | 99.23% |
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.
| Murraya paniculata |
| PubChem | 14061763 |
| LOTUS | LTS0034600 |
| wikiData | Q104972837 |