(1R,9R,11R,17R,18E)-18-ethylidene-8,14-diazapentacyclo[9.5.2.01,9.02,7.014,17]octadeca-2,4,6-triene
| Internal ID | 4abb1d4b-28d5-4750-949d-ef7c2ea7a328 |
| Taxonomy | Alkaloids and derivatives > Strychnos alkaloids |
| IUPAC Name | (1R,9R,11R,17R,18E)-18-ethylidene-8,14-diazapentacyclo[9.5.2.01,9.02,7.014,17]octadeca-2,4,6-triene |
| SMILES (Canonical) | CC=C1C2CCN3C1C4(CC3)C(C2)NC5=CC=CC=C45 |
| SMILES (Isomeric) | C/C=C/1\[C@@H]2CCN3[C@H]1[C@@]4(CC3)[C@@H](C2)NC5=CC=CC=C45 |
| InChI | InChI=1S/C18H22N2/c1-2-13-12-7-9-20-10-8-18(17(13)20)14-5-3-4-6-15(14)19-16(18)11-12/h2-6,12,16-17,19H,7-11H2,1H3/b13-2+/t12-,16-,17-,18-/m1/s1 |
| InChI Key | DSEPQHRHLTVWHD-HTWFZHFVSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C18H22N2 |
| Molecular Weight | 266.40 g/mol |
| Exact Mass | 266.178298710 g/mol |
| Topological Polar Surface Area (TPSA) | 15.30 Ų |
| XlogP | 2.80 |
| There are no found synonyms. |
![2D Structure of (1R,9R,11R,17R,18E)-18-ethylidene-8,14-diazapentacyclo[9.5.2.01,9.02,7.014,17]octadeca-2,4,6-triene](https://plantaedb.com/storage/docs/compounds/2023/11/1r9r11r17r18e-18-ethylidene-814-diazapentacyclo95201902701417octadeca-246-triene.jpg "2D Structure of (1R,9R,11R,17R,18E)-18-ethylidene-8,14-diazapentacyclo[9.5.2.01,9.02,7.014,17]octadeca-2,4,6-triene")
| 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 | 96.75% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.30% | 91.11% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.46% | 97.09% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 92.23% | 82.69% |
| CHEMBL3524 | P56524 | Histone deacetylase 4 | 90.45% | 92.97% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.40% | 95.56% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 87.55% | 97.25% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 87.36% | 94.62% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 86.78% | 90.24% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 86.64% | 93.40% |
| CHEMBL238 | Q01959 | Dopamine transporter | 86.54% | 95.88% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 84.50% | 100.00% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 84.09% | 89.62% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 83.98% | 90.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 83.91% | 98.95% |
| CHEMBL228 | P31645 | Serotonin transporter | 83.26% | 95.51% |
| CHEMBL3155 | P34969 | Serotonin 7 (5-HT7) receptor | 82.94% | 90.71% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 82.90% | 94.75% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.98% | 95.89% |
| CHEMBL5028 | O14672 | ADAM10 | 81.77% | 97.50% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 81.74% | 97.14% |
| CHEMBL222 | P23975 | Norepinephrine transporter | 81.45% | 96.06% |
| CHEMBL284 | P27487 | Dipeptidyl peptidase IV | 81.32% | 95.69% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.26% | 100.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 80.84% | 86.33% |
| CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 80.68% | 95.83% |
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.
| Aspidosperma quebracho-blanco |
| PubChem | 101286225 |
| LOTUS | LTS0100619 |
| wikiData | Q104250858 |