(1S,6R,8R,11R,23R,24R,25S)-16-methoxy-4-methyl-7,10-dioxa-4,14-diazaheptacyclo[12.6.5.01,25.06,8.06,23.011,24.015,20]pentacosa-15(20),16,18-triene-13,21-dione
| Internal ID | 67ac3e1f-f4bf-4d95-ae65-522b2230f261 |
| Taxonomy | Organoheterocyclic compounds > Indoles and derivatives > Carbazoles |
| IUPAC Name | (1S,6R,8R,11R,23R,24R,25S)-16-methoxy-4-methyl-7,10-dioxa-4,14-diazaheptacyclo[12.6.5.01,25.06,8.06,23.011,24.015,20]pentacosa-15(20),16,18-triene-13,21-dione |
| SMILES (Canonical) | CN1CCC23C4C5C(CC2=O)C6(C1)C(O6)COC5CC(=O)N4C7=C3C=CC=C7OC |
| SMILES (Isomeric) | CN1CC[C@]23[C@@H]4[C@H]5[C@@H](CC2=O)[C@@]6(C1)[C@H](O6)CO[C@@H]5CC(=O)N4C7=C3C=CC=C7OC |
| InChI | InChI=1S/C23H26N2O5/c1-24-7-6-22-12-4-3-5-14(28-2)20(12)25-18(27)9-15-19(21(22)25)13(8-16(22)26)23(11-24)17(30-23)10-29-15/h3-5,13,15,17,19,21H,6-11H2,1-2H3/t13-,15-,17-,19+,21+,22-,23+/m1/s1 |
| InChI Key | IFOYLWILHMGLMS-BFRQYSRCSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C23H26N2O5 |
| Molecular Weight | 410.50 g/mol |
| Exact Mass | 410.18417193 g/mol |
| Topological Polar Surface Area (TPSA) | 71.60 Ų |
| XlogP | 0.00 |
| There are no found synonyms. |
![2D Structure of (1S,6R,8R,11R,23R,24R,25S)-16-methoxy-4-methyl-7,10-dioxa-4,14-diazaheptacyclo[12.6.5.01,25.06,8.06,23.011,24.015,20]pentacosa-15(20),16,18-triene-13,21-dione](https://plantaedb.com/storage/docs/compounds/2023/11/78d8b3e0-8562-11ee-bc81-8534aac5f9bb.jpg "2D Structure of (1S,6R,8R,11R,23R,24R,25S)-16-methoxy-4-methyl-7,10-dioxa-4,14-diazaheptacyclo[12.6.5.01,25.06,8.06,23.011,24.015,20]pentacosa-15(20),16,18-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 | 99.47% | 85.14% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 97.34% | 94.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.79% | 96.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 96.20% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 96.12% | 95.56% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 93.77% | 100.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 92.25% | 99.23% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.64% | 98.95% |
| CHEMBL204 | P00734 | Thrombin | 91.35% | 96.01% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 89.31% | 96.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 87.55% | 90.71% |
| CHEMBL2095226 | P05556 | Integrin alpha-5/beta-1 | 87.25% | 96.39% |
| CHEMBL2094127 | P06493 | Cyclin-dependent kinase 1/cyclin B | 87.01% | 96.00% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 86.94% | 94.75% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.44% | 95.89% |
| CHEMBL3713062 | P10646 | Tissue factor pathway inhibitor | 84.56% | 97.33% |
| CHEMBL4302 | P08183 | P-glycoprotein 1 | 84.53% | 92.98% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 83.82% | 97.14% |
| CHEMBL4829 | O00763 | Acetyl-CoA carboxylase 2 | 83.60% | 98.00% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 82.69% | 96.67% |
| CHEMBL5805 | Q9NR97 | Toll-like receptor 8 | 81.88% | 96.25% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 80.43% | 93.10% |
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 | 163012787 |
| LOTUS | LTS0110323 |
| wikiData | Q105112283 |