(1S,6R,8R,11R,23R,24R,25S)-17,18-dimethoxy-7,10-dioxa-4,14-diazaheptacyclo[12.6.5.01,25.06,8.06,23.011,24.015,20]pentacosa-15,17,19-triene-13,21-dione
| Internal ID | 7d3be2a8-5156-4b59-bec8-39fe06cf7c24 |
| Taxonomy | Organoheterocyclic compounds > Indoles and derivatives > Carbazoles |
| IUPAC Name | (1S,6R,8R,11R,23R,24R,25S)-17,18-dimethoxy-7,10-dioxa-4,14-diazaheptacyclo[12.6.5.01,25.06,8.06,23.011,24.015,20]pentacosa-15,17,19-triene-13,21-dione |
| SMILES (Canonical) | COC1=C(C=C2C(=C1)C34CCNCC56C(CC3=O)C7C4N2C(=O)CC7OCC5O6)OC |
| SMILES (Isomeric) | COC1=C(C=C2C(=C1)[C@]34CCNC[C@]56[C@H](CC3=O)[C@@H]7[C@@H]4N2C(=O)C[C@H]7OC[C@H]5O6)OC |
| InChI | InChI=1S/C23H26N2O6/c1-28-14-5-11-13(7-15(14)29-2)25-19(27)8-16-20-12-6-17(26)22(11,21(20)25)3-4-24-10-23(12)18(31-23)9-30-16/h5,7,12,16,18,20-21,24H,3-4,6,8-10H2,1-2H3/t12-,16-,18-,20+,21+,22-,23+/m1/s1 |
| InChI Key | MUZDJEBALWQQOO-WSUJZMCRSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C23H26N2O6 |
| Molecular Weight | 426.50 g/mol |
| Exact Mass | 426.17908655 g/mol |
| Topological Polar Surface Area (TPSA) | 89.60 Ų |
| XlogP | -0.50 |
| There are no found synonyms. |
![2D Structure of (1S,6R,8R,11R,23R,24R,25S)-17,18-dimethoxy-7,10-dioxa-4,14-diazaheptacyclo[12.6.5.01,25.06,8.06,23.011,24.015,20]pentacosa-15,17,19-triene-13,21-dione](https://plantaedb.com/storage/docs/compounds/2023/11/11b44d60-862d-11ee-873f-2bf83a570f16.jpg "2D Structure of (1S,6R,8R,11R,23R,24R,25S)-17,18-dimethoxy-7,10-dioxa-4,14-diazaheptacyclo[12.6.5.01,25.06,8.06,23.011,24.015,20]pentacosa-15,17,19-triene-13,21-dione")
| 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 | 97.69% | 85.14% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 97.05% | 86.33% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 95.07% | 94.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.89% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 93.74% | 97.09% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 92.87% | 90.71% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 91.85% | 93.40% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.24% | 95.56% |
| CHEMBL4829 | O00763 | Acetyl-CoA carboxylase 2 | 87.64% | 98.00% |
| CHEMBL2095226 | P05556 | Integrin alpha-5/beta-1 | 87.49% | 96.39% |
| CHEMBL1907601 | P11802 | Cyclin-dependent kinase 4/cyclin D1 | 87.03% | 98.99% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 86.64% | 100.00% |
| CHEMBL4302 | P08183 | P-glycoprotein 1 | 86.19% | 92.98% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 85.75% | 94.75% |
| CHEMBL215 | P09917 | Arachidonate 5-lipoxygenase | 85.53% | 92.68% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.33% | 99.23% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 84.84% | 89.63% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.44% | 94.45% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 84.13% | 92.94% |
| CHEMBL3713062 | P10646 | Tissue factor pathway inhibitor | 83.99% | 97.33% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.41% | 95.89% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 82.61% | 97.14% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 82.05% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 81.75% | 98.95% |
| CHEMBL204 | P00734 | Thrombin | 81.69% | 96.01% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 81.30% | 96.00% |
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 icaja |
| PubChem | 163084246 |
| LOTUS | LTS0018845 |
| wikiData | Q105172852 |