[(1S,12R,15S,17S)-14,14-dimethyl-3,13-diazapentacyclo[13.2.2.02,10.04,9.012,17]nonadeca-2(10),4,6,8-tetraen-1-yl]methanol
| Internal ID | f354b454-c3fb-4296-9e3e-0b1cc3306da0 |
| Taxonomy | Organoheterocyclic compounds > Quinolines and derivatives > Pyrroloquinolines |
| IUPAC Name | [(1S,12R,15S,17S)-14,14-dimethyl-3,13-diazapentacyclo[13.2.2.02,10.04,9.012,17]nonadeca-2(10),4,6,8-tetraen-1-yl]methanol |
| SMILES (Canonical) | CC1(C2CCC3(C(C2)C(N1)CC4=C3NC5=CC=CC=C45)CO)C |
| SMILES (Isomeric) | CC1([C@H]2CC[C@@]3([C@H](C2)[C@H](N1)CC4=C3NC5=CC=CC=C45)CO)C |
| InChI | InChI=1S/C20H26N2O/c1-19(2)12-7-8-20(11-23)15(9-12)17(22-19)10-14-13-5-3-4-6-16(13)21-18(14)20/h3-6,12,15,17,21-23H,7-11H2,1-2H3/t12-,15+,17+,20-/m0/s1 |
| InChI Key | ORYLMZKDRMYWGM-QFZSKUSHSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H26N2O |
| Molecular Weight | 310.40 g/mol |
| Exact Mass | 310.204513457 g/mol |
| Topological Polar Surface Area (TPSA) | 48.00 Ų |
| XlogP | 2.90 |
| There are no found synonyms. |
![2D Structure of [(1S,12R,15S,17S)-14,14-dimethyl-3,13-diazapentacyclo[13.2.2.02,10.04,9.012,17]nonadeca-2(10),4,6,8-tetraen-1-yl]methanol](https://plantaedb.com/storage/docs/compounds/2023/11/8c6831d0-850e-11ee-a5a7-eb4e156d251d.jpg "2D Structure of [(1S,12R,15S,17S)-14,14-dimethyl-3,13-diazapentacyclo[13.2.2.02,10.04,9.012,17]nonadeca-2(10),4,6,8-tetraen-1-yl]methanol")
| 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 | 98.21% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.87% | 96.09% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 96.19% | 94.62% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 95.13% | 97.09% |
| CHEMBL216 | P11229 | Muscarinic acetylcholine receptor M1 | 94.88% | 94.23% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.76% | 94.45% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.07% | 95.56% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 91.71% | 97.25% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 91.35% | 88.56% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 88.46% | 93.99% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 87.03% | 91.71% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 86.37% | 94.08% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 86.22% | 90.08% |
| CHEMBL3155 | P34969 | Serotonin 7 (5-HT7) receptor | 85.85% | 90.71% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.35% | 100.00% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 83.38% | 94.75% |
| CHEMBL3430907 | Q96GD4 | Aurora kinase B/Inner centromere protein | 83.06% | 97.50% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 82.97% | 91.49% |
| CHEMBL2581 | P07339 | Cathepsin D | 82.54% | 98.95% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.19% | 95.89% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 81.97% | 82.69% |
| CHEMBL5028 | O14672 | ADAM10 | 81.73% | 97.50% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 80.38% | 92.62% |
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.
| Aristotelia australasica |
| PubChem | 163188403 |
| LOTUS | LTS0128404 |
| wikiData | Q105198588 |