Melonine N-oxide
| Internal ID | f45fd769-b049-4eb1-9aa4-ad4be045cfa5 |
| Taxonomy | Organoheterocyclic compounds > Indoles and derivatives > Carbazoles |
| IUPAC Name | (1S,9R,10S,15S)-15-ethyl-11-oxido-2-aza-11-azoniapentacyclo[9.6.2.01,9.03,8.010,15]nonadeca-3,5,7-triene |
| SMILES (Canonical) | CCC12CCC[N+]3(C1C4C5=CC=CC=C5NC4(CC2)CC3)[O-] |
| SMILES (Isomeric) | CC[C@@]12CCC[N+]3([C@H]1[C@H]4C5=CC=CC=C5N[C@@]4(CC2)CC3)[O-] |
| InChI | InChI=1S/C19H26N2O/c1-2-18-8-5-12-21(22)13-11-19(10-9-18)16(17(18)21)14-6-3-4-7-15(14)20-19/h3-4,6-7,16-17,20H,2,5,8-13H2,1H3/t16-,17+,18+,19+,21?/m1/s1 |
| InChI Key | PKCZRELGBLCVTO-HXSWZLAGSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C19H26N2O |
| Molecular Weight | 298.40 g/mol |
| Exact Mass | 298.204513457 g/mol |
| Topological Polar Surface Area (TPSA) | 30.10 Ų |
| XlogP | 3.30 |
| (+)-Melonine Nb-oxide |
| 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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 97.50% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.84% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.64% | 98.95% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.38% | 97.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.28% | 91.11% |
| CHEMBL3155 | P34969 | Serotonin 7 (5-HT7) receptor | 85.83% | 90.71% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 85.45% | 95.93% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.23% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.19% | 95.56% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 82.60% | 98.59% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 81.24% | 94.62% |
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.
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| There are no matching plants. |
| PubChem | 163184432 |
| LOTUS | LTS0049310 |
| wikiData | Q105210330 |