(2R,5E,6R,8S)-5-ethylidene-9-methyl-3-oxa-1,9-diazapentacyclo[10.6.1.12,6.08,19.013,18]icosa-12(19),13,15,17-tetraene
| Internal ID | a90f4e86-9eb2-4aa8-8fbd-717a28db4270 |
| Taxonomy | Organoheterocyclic compounds > Indoles and derivatives > Pyridoindoles > Beta carbolines |
| IUPAC Name | (2R,5E,6R,8S)-5-ethylidene-9-methyl-3-oxa-1,9-diazapentacyclo[10.6.1.12,6.08,19.013,18]icosa-12(19),13,15,17-tetraene |
| SMILES (Canonical) | CC=C1COC2CC1CC3C4=C(CCN3C)C5=CC=CC=C5N24 |
| SMILES (Isomeric) | C/C=C\1/CO[C@@H]2C[C@H]1C[C@H]3C4=C(CCN3C)C5=CC=CC=C5N24 |
| InChI | InChI=1S/C20H24N2O/c1-3-13-12-23-19-11-14(13)10-18-20-16(8-9-21(18)2)15-6-4-5-7-17(15)22(19)20/h3-7,14,18-19H,8-12H2,1-2H3/b13-3-/t14-,18+,19-/m1/s1 |
| InChI Key | MGDFVKFINVJNNX-CWCXEYERSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H24N2O |
| Molecular Weight | 308.40 g/mol |
| Exact Mass | 308.188863393 g/mol |
| Topological Polar Surface Area (TPSA) | 17.40 Ų |
| XlogP | 2.70 |
| There are no found synonyms. |
![2D Structure of (2R,5E,6R,8S)-5-ethylidene-9-methyl-3-oxa-1,9-diazapentacyclo[10.6.1.12,6.08,19.013,18]icosa-12(19),13,15,17-tetraene](https://plantaedb.com/storage/docs/compounds/2023/11/87e23db0-85e7-11ee-9798-f1230b68175d.jpg "2D Structure of (2R,5E,6R,8S)-5-ethylidene-9-methyl-3-oxa-1,9-diazapentacyclo[10.6.1.12,6.08,19.013,18]icosa-12(19),13,15,17-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 |
|---|---|---|---|---|
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 96.35% | 95.56% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 96.08% | 93.99% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 94.00% | 93.40% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.96% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 91.79% | 97.25% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.52% | 89.00% |
| CHEMBL2716 | Q8WUI4 | Histone deacetylase 7 | 86.86% | 89.44% |
| CHEMBL3227 | P41594 | Metabotropic glutamate receptor 5 | 86.07% | 96.42% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 84.63% | 93.65% |
| CHEMBL5805 | Q9NR97 | Toll-like receptor 8 | 84.59% | 96.25% |
| CHEMBL1899 | P46098 | Serotonin 3a (5-HT3a) receptor | 82.95% | 100.00% |
| CHEMBL3155 | P34969 | Serotonin 7 (5-HT7) receptor | 82.78% | 90.71% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 82.59% | 100.00% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 81.49% | 98.59% |
| CHEMBL5028 | O14672 | ADAM10 | 81.04% | 97.50% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 81.01% | 90.08% |
| CHEMBL4145 | Q9UKV0 | Histone deacetylase 9 | 80.97% | 85.49% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 80.07% | 89.62% |
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.
| Strychnos johnsonii |
| PubChem | 163190267 |
| LOTUS | LTS0259272 |
| wikiData | Q105163227 |