[(3R,4R,5S,7R)-3,4-dihydroxy-6-prop-2-enyl-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10,12,14-tetraen-7-yl] (E)-3-phenylprop-2-enoate
| Internal ID | 52d908ff-7dd3-41b4-ba16-ba2501831887 |
| Taxonomy | Alkaloids and derivatives > Indolonaphthyridine alkaloids |
| IUPAC Name | [(3R,4R,5S,7R)-3,4-dihydroxy-6-prop-2-enyl-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10,12,14-tetraen-7-yl] (E)-3-phenylprop-2-enoate |
| SMILES (Canonical) | C=CCN1C(CC2=C3C1C(C(CN3C4=CC=CC=C24)O)O)OC(=O)C=CC5=CC=CC=C5 |
| SMILES (Isomeric) | C=CCN1[C@@H](CC2=C3[C@H]1[C@H]([C@@H](CN3C4=CC=CC=C24)O)O)OC(=O)/C=C/C5=CC=CC=C5 |
| InChI | InChI=1S/C26H26N2O4/c1-2-14-27-22(32-23(30)13-12-17-8-4-3-5-9-17)15-19-18-10-6-7-11-20(18)28-16-21(29)26(31)25(27)24(19)28/h2-13,21-22,25-26,29,31H,1,14-16H2/b13-12+/t21-,22-,25+,26+/m1/s1 |
| InChI Key | HRJCUXBIWBPWFY-ILDYAHSHSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C26H26N2O4 |
| Molecular Weight | 430.50 g/mol |
| Exact Mass | 430.18925731 g/mol |
| Topological Polar Surface Area (TPSA) | 74.90 Ų |
| XlogP | 3.20 |
| There are no found synonyms. |
![2D Structure of [(3R,4R,5S,7R)-3,4-dihydroxy-6-prop-2-enyl-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10,12,14-tetraen-7-yl] (E)-3-phenylprop-2-enoate](https://plantaedb.com/storage/docs/compounds/2023/11/7e2d5d40-8607-11ee-b1ec-1b22f741a591.jpg "2D Structure of [(3R,4R,5S,7R)-3,4-dihydroxy-6-prop-2-enyl-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10,12,14-tetraen-7-yl] (E)-3-phenylprop-2-enoate")
| 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 | 98.09% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.46% | 91.11% |
| CHEMBL216 | P11229 | Muscarinic acetylcholine receptor M1 | 96.09% | 94.23% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 95.99% | 93.99% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.79% | 95.56% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 93.61% | 94.62% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 91.99% | 89.00% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 91.82% | 94.08% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 91.42% | 96.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.38% | 86.33% |
| CHEMBL3004 | P33527 | Multidrug resistance-associated protein 1 | 88.15% | 96.37% |
| CHEMBL5028 | O14672 | ADAM10 | 87.56% | 97.50% |
| CHEMBL2581 | P07339 | Cathepsin D | 86.26% | 98.95% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 85.51% | 90.17% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 85.01% | 93.00% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 84.63% | 91.71% |
| CHEMBL228 | P31645 | Serotonin transporter | 83.85% | 95.51% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 80.29% | 94.45% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 80.29% | 97.09% |
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.
| Melodinus cochinchinensis |
| PubChem | 101244125 |
| LOTUS | LTS0126585 |
| wikiData | Q105032694 |