4,6-Dimethyl-6,11-diazapentacyclo[7.6.1.02,4.02,7.012,16]hexadeca-1(16),9,12,14-tetraene
| Internal ID | 1916d01d-dbb5-41bc-b2c2-bceac9ef6c36 |
| Taxonomy | Alkaloids and derivatives > Ergoline and derivatives > Clavines and derivatives |
| IUPAC Name | 4,6-dimethyl-6,11-diazapentacyclo[7.6.1.02,4.02,7.012,16]hexadeca-1(16),9,12,14-tetraene |
| SMILES (Canonical) | CC12CC13C(CC4=CNC5=CC=CC3=C45)N(C2)C |
| SMILES (Isomeric) | CC12CC13C(CC4=CNC5=CC=CC3=C45)N(C2)C |
| InChI | InChI=1S/C16H18N2/c1-15-8-16(15)11-4-3-5-12-14(11)10(7-17-12)6-13(16)18(2)9-15/h3-5,7,13,17H,6,8-9H2,1-2H3 |
| InChI Key | ZWJHDICNUKHUGE-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C16H18N2 |
| Molecular Weight | 238.33 g/mol |
| Exact Mass | 238.146998583 g/mol |
| Topological Polar Surface Area (TPSA) | 19.00 Ų |
| XlogP | 2.80 |
| There are no found synonyms. |
![2D Structure of 4,6-Dimethyl-6,11-diazapentacyclo[7.6.1.02,4.02,7.012,16]hexadeca-1(16),9,12,14-tetraene](https://plantaedb.com/storage/docs/compounds/2023/11/46-dimethyl-611-diazapentacyclo76102402701216hexadeca-11691214-tetraene.jpg "2D Structure of 4,6-Dimethyl-6,11-diazapentacyclo[7.6.1.02,4.02,7.012,16]hexadeca-1(16),9,12,14-tetraene")
| 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 | 97.91% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.39% | 98.95% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 95.23% | 93.99% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.77% | 94.45% |
| CHEMBL233 | P35372 | Mu opioid receptor | 93.65% | 97.93% |
| CHEMBL2095226 | P05556 | Integrin alpha-5/beta-1 | 92.24% | 96.39% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 90.59% | 95.62% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.23% | 95.56% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 89.69% | 95.89% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.91% | 97.09% |
| CHEMBL238 | Q01959 | Dopamine transporter | 87.52% | 95.88% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 86.22% | 97.25% |
| CHEMBL3155 | P34969 | Serotonin 7 (5-HT7) receptor | 84.94% | 90.71% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 84.91% | 88.56% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 83.82% | 91.11% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 83.36% | 93.03% |
| CHEMBL5805 | Q9NR97 | Toll-like receptor 8 | 81.53% | 96.25% |
| CHEMBL240 | Q12809 | HERG | 81.39% | 89.76% |
| CHEMBL3227 | P41594 | Metabotropic glutamate receptor 5 | 80.12% | 96.42% |
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.
| There are no matching plants. |
| PubChem | 74325943 |
| LOTUS | LTS0010862 |
| wikiData | Q104202858 |