9-Ethenyl-10-isothiocyanato-6,6,9-trimethyl-5,6a,7,8,10,10a-hexahydroindeno[2,1-b]indole
| Internal ID | 8bf75dac-4ecf-48d5-a2c4-5552afe16766 |
| Taxonomy | Organoheterocyclic compounds > Indoles and derivatives > Indoles > 3-alkylindoles |
| IUPAC Name | 9-ethenyl-10-isothiocyanato-6,6,9-trimethyl-5,6a,7,8,10,10a-hexahydroindeno[2,1-b]indole |
| SMILES (Canonical) | CC1(C2CCC(C(C2C3=C1NC4=CC=CC=C43)N=C=S)(C)C=C)C |
| SMILES (Isomeric) | CC1(C2CCC(C(C2C3=C1NC4=CC=CC=C43)N=C=S)(C)C=C)C |
| InChI | InChI=1S/C21H24N2S/c1-5-21(4)11-10-14-17(19(21)22-12-24)16-13-8-6-7-9-15(13)23-18(16)20(14,2)3/h5-9,14,17,19,23H,1,10-11H2,2-4H3 |
| InChI Key | SKPZPLQBYCKOGH-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H24N2S |
| Molecular Weight | 336.50 g/mol |
| Exact Mass | 336.16601995 g/mol |
| Topological Polar Surface Area (TPSA) | 60.20 Ų |
| XlogP | 6.80 |
| There are no found synonyms. |
![2D Structure of 9-Ethenyl-10-isothiocyanato-6,6,9-trimethyl-5,6a,7,8,10,10a-hexahydroindeno[2,1-b]indole](https://plantaedb.com/storage/docs/compounds/2023/11/9-ethenyl-10-isothiocyanato-669-trimethyl-56a781010a-hexahydroindeno21-bindole.jpg "2D Structure of 9-Ethenyl-10-isothiocyanato-6,6,9-trimethyl-5,6a,7,8,10,10a-hexahydroindeno[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 | 97.40% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.76% | 94.45% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 96.51% | 94.62% |
| CHEMBL216 | P11229 | Muscarinic acetylcholine receptor M1 | 95.46% | 94.23% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 94.21% | 94.08% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.19% | 96.09% |
| CHEMBL240 | Q12809 | HERG | 91.93% | 89.76% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.24% | 95.56% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 90.19% | 97.25% |
| CHEMBL3227 | P41594 | Metabotropic glutamate receptor 5 | 90.14% | 96.42% |
| CHEMBL4145 | Q9UKV0 | Histone deacetylase 9 | 88.67% | 85.49% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 88.55% | 100.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.84% | 97.09% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 85.63% | 88.56% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 85.59% | 91.49% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.47% | 89.00% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 82.36% | 91.71% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.14% | 95.89% |
| CHEMBL5028 | O14672 | ADAM10 | 81.90% | 97.50% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 81.39% | 97.14% |
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 | 72786072 |
| LOTUS | LTS0079266 |
| wikiData | Q104197388 |