(1S,12S,13E,18S)-13-ethylidene-9,15-diazapentacyclo[10.5.2.02,11.03,8.015,18]nonadeca-2(11),3,5,7,9-pentaen-1-ol
| Internal ID | 152f711f-89b5-489a-97a3-e9f61e0955c5 |
| Taxonomy | Organoheterocyclic compounds > Quinolines and derivatives > Benzoquinolines > Phenanthridines and derivatives |
| IUPAC Name | (1S,12S,13E,18S)-13-ethylidene-9,15-diazapentacyclo[10.5.2.02,11.03,8.015,18]nonadeca-2(11),3,5,7,9-pentaen-1-ol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C19H20N2O/c1-2-12-11-21-8-7-19(22)17(21)9-14(12)15-10-20-16-6-4-3-5-13(16)18(15)19/h2-6,10,14,17,22H,7-9,11H2,1H3/b12-2-/t14-,17-,19+/m0/s1 |
| InChI Key | ZDKCWAXXBACWIF-YAAMYHPNSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C19H20N2O |
| Molecular Weight | 292.40 g/mol |
| Exact Mass | 292.157563266 g/mol |
| Topological Polar Surface Area (TPSA) | 36.40 Ų |
| XlogP | 1.80 |
| There are no found synonyms. |
![2D Structure of (1S,12S,13E,18S)-13-ethylidene-9,15-diazapentacyclo[10.5.2.02,11.03,8.015,18]nonadeca-2(11),3,5,7,9-pentaen-1-ol](https://plantaedb.com/storage/docs/compounds/2023/11/c8875160-85f9-11ee-a82d-f93f377a6d0f.jpg "2D Structure of (1S,12S,13E,18S)-13-ethylidene-9,15-diazapentacyclo[10.5.2.02,11.03,8.015,18]nonadeca-2(11),3,5,7,9-pentaen-1-ol")
| 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 | 95.12% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 93.11% | 85.14% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.74% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.23% | 95.56% |
| CHEMBL5805 | Q9NR97 | Toll-like receptor 8 | 90.41% | 96.25% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 90.34% | 89.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.10% | 86.33% |
| CHEMBL284 | P27487 | Dipeptidyl peptidase IV | 89.07% | 95.69% |
| CHEMBL2716 | Q8WUI4 | Histone deacetylase 7 | 88.29% | 89.44% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 87.84% | 97.25% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.12% | 95.89% |
| CHEMBL3227 | P41594 | Metabotropic glutamate receptor 5 | 84.03% | 96.42% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.78% | 99.23% |
| CHEMBL2535 | P11166 | Glucose transporter | 83.50% | 98.75% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 83.30% | 90.24% |
| CHEMBL2581 | P07339 | Cathepsin D | 83.11% | 98.95% |
| CHEMBL240 | Q12809 | HERG | 81.52% | 89.76% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 81.39% | 97.09% |
| CHEMBL3713062 | P10646 | Tissue factor pathway inhibitor | 81.36% | 97.33% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 80.94% | 90.00% |
| CHEMBL5028 | O14672 | ADAM10 | 80.74% | 97.50% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 80.55% | 100.00% |
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.
| Tabernaemontana divaricata |
| PubChem | 21603359 |
| LOTUS | LTS0069976 |
| wikiData | Q105372306 |