(1S,6R,8R,11R,23R,24R,25S)-16,17-dimethoxy-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 | 9c5e7737-724c-4fc1-adbc-f1d59c4faf6f |
| Taxonomy | Organoheterocyclic compounds > Indoles and derivatives > Carbazoles |
| IUPAC Name | (1S,6R,8R,11R,23R,24R,25S)-16,17-dimethoxy-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)OC |
| 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)OC |
| InChI | InChI=1S/C24H28N2O6/c1-25-7-6-23-12-4-5-14(29-2)21(30-3)20(12)26-18(28)9-15-19(22(23)26)13(8-16(23)27)24(11-25)17(32-24)10-31-15/h4-5,13,15,17,19,22H,6-11H2,1-3H3/t13-,15-,17-,19+,22+,23-,24+/m1/s1 |
| InChI Key | JFBIAVWMCXUMBQ-XWAFLOPXSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C24H28N2O6 |
| Molecular Weight | 440.50 g/mol |
| Exact Mass | 440.19473662 g/mol |
| Topological Polar Surface Area (TPSA) | 80.80 Ų |
| XlogP | 0.00 |
| There are no found synonyms. |
![2D Structure of (1S,6R,8R,11R,23R,24R,25S)-16,17-dimethoxy-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/2023/11/0b35d510-82d6-11ee-885b-dfecd6120275.jpg "2D Structure of (1S,6R,8R,11R,23R,24R,25S)-16,17-dimethoxy-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 | 98.48% | 85.14% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 97.09% | 94.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.66% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.47% | 95.56% |
| CHEMBL204 | P00734 | Thrombin | 93.25% | 96.01% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.06% | 86.33% |
| CHEMBL4302 | P08183 | P-glycoprotein 1 | 92.98% | 92.98% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 91.13% | 100.00% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 89.80% | 96.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 89.15% | 99.23% |
| CHEMBL4829 | O00763 | Acetyl-CoA carboxylase 2 | 88.23% | 98.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 88.12% | 90.71% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 87.10% | 94.75% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 86.09% | 93.40% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.16% | 95.89% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 85.11% | 96.67% |
| CHEMBL3864 | Q06124 | Protein-tyrosine phosphatase 2C | 84.02% | 94.42% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 83.82% | 97.25% |
| CHEMBL3713062 | P10646 | Tissue factor pathway inhibitor | 83.43% | 97.33% |
| CHEMBL1907601 | P11802 | Cyclin-dependent kinase 4/cyclin D1 | 82.23% | 98.99% |
| CHEMBL2095226 | P05556 | Integrin alpha-5/beta-1 | 82.17% | 96.39% |
| CHEMBL2581 | P07339 | Cathepsin D | 81.79% | 98.95% |
| CHEMBL5747 | Q92793 | CREB-binding protein | 80.99% | 95.12% |
| CHEMBL2094127 | P06493 | Cyclin-dependent kinase 1/cyclin B | 80.82% | 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 | 162940582 |
| LOTUS | LTS0104893 |
| wikiData | Q105126574 |