(1S,12R,13R,16Z,17S,19R)-3,4,6-trimethoxy-16-(2-methoxyethylidene)-10-oxa-8,14-diazahexacyclo[11.6.1.01,9.02,7.012,17.014,19]icosa-2(7),3,5,8-tetraene
| Internal ID | 0945717f-a576-40ee-b3ab-c7cef14df868 |
| Taxonomy | Organoheterocyclic compounds > Indoles and derivatives > Indoles > 3-alkylindoles |
| IUPAC Name | (1S,12R,13R,16Z,17S,19R)-3,4,6-trimethoxy-16-(2-methoxyethylidene)-10-oxa-8,14-diazahexacyclo[11.6.1.01,9.02,7.012,17.014,19]icosa-2(7),3,5,8-tetraene |
| SMILES (Canonical) | COCC=C1CN2C3CC1C4C2CC35C6=C(C(=CC(=C6OC)OC)OC)N=C5OC4 |
| SMILES (Isomeric) | COC/C=C/1\CN2[C@@H]3C[C@H]1[C@@H]4[C@H]2C[C@]35C6=C(C(=CC(=C6OC)OC)OC)N=C5OC4 |
| InChI | InChI=1S/C23H28N2O5/c1-26-6-5-12-10-25-15-9-23-18(25)7-13(12)14(15)11-30-22(23)24-20-16(27-2)8-17(28-3)21(29-4)19(20)23/h5,8,13-15,18H,6-7,9-11H2,1-4H3/b12-5+/t13-,14-,15-,18-,23-/m1/s1 |
| InChI Key | RIMDDIPKIZTBHU-NJLAXGDNSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C23H28N2O5 |
| Molecular Weight | 412.50 g/mol |
| Exact Mass | 412.19982200 g/mol |
| Topological Polar Surface Area (TPSA) | 61.80 Ų |
| XlogP | 1.30 |
| There are no found synonyms. |
![2D Structure of (1S,12R,13R,16Z,17S,19R)-3,4,6-trimethoxy-16-(2-methoxyethylidene)-10-oxa-8,14-diazahexacyclo[11.6.1.01,9.02,7.012,17.014,19]icosa-2(7),3,5,8-tetraene](https://plantaedb.com/storage/docs/compounds/2023/11/44b79410-8545-11ee-96a1-85b0022bb96b.jpg "2D Structure of (1S,12R,13R,16Z,17S,19R)-3,4,6-trimethoxy-16-(2-methoxyethylidene)-10-oxa-8,14-diazahexacyclo[11.6.1.01,9.02,7.012,17.014,19]icosa-2(7),3,5,8-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 |
|---|---|---|---|---|
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 98.91% | 85.14% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.43% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.35% | 94.45% |
| CHEMBL5747 | Q92793 | CREB-binding protein | 94.09% | 95.12% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.40% | 86.33% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 91.24% | 96.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.48% | 97.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 88.81% | 91.11% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 87.20% | 94.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.37% | 95.56% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 84.54% | 89.62% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 83.56% | 97.14% |
| CHEMBL2730 | P21980 | Protein-glutamine gamma-glutamyltransferase | 83.48% | 92.38% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 83.14% | 83.82% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 81.06% | 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.
| Gardneria nutans |
| PubChem | 163187353 |
| LOTUS | LTS0080307 |
| wikiData | Q105236974 |