(1S,6R,8R,11R,23S,24R,25S)-23-hydroxy-17,18-dimethoxy-4-methyl-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 | 3305110e-4c07-4c4d-ab91-4ade1a144ea1 |
| Taxonomy | Organoheterocyclic compounds > Indoles and derivatives > Carbazoles |
| IUPAC Name | (1S,6R,8R,11R,23S,24R,25S)-23-hydroxy-17,18-dimethoxy-4-methyl-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) | CN1CCC23C4C5C(CC(=O)N4C6=CC(=C(C=C62)OC)OC)OCC7C(C1)(C5(CC3=O)O)O7 |
| SMILES (Isomeric) | CN1CC[C@@]23[C@@H]4[C@@H]5[C@@H](CC(=O)N4C6=CC(=C(C=C62)OC)OC)OC[C@@H]7[C@](C1)([C@@]5(CC3=O)O)O7 |
| InChI | InChI=1S/C24H28N2O7/c1-25-5-4-22-12-6-14(30-2)15(31-3)7-13(12)26-19(28)8-16-20(21(22)26)23(29,9-17(22)27)24(11-25)18(33-24)10-32-16/h6-7,16,18,20-21,29H,4-5,8-11H2,1-3H3/t16-,18-,20+,21+,22-,23+,24-/m1/s1 |
| InChI Key | JLIIYLZAZQFIFD-YFNXRGSLSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C24H28N2O7 |
| Molecular Weight | 456.50 g/mol |
| Exact Mass | 456.18965124 g/mol |
| Topological Polar Surface Area (TPSA) | 101.00 Ų |
| XlogP | -1.10 |
| There are no found synonyms. |
![2D Structure of (1S,6R,8R,11R,23S,24R,25S)-23-hydroxy-17,18-dimethoxy-4-methyl-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/2023/11/53154d40-825f-11ee-963d-c9ed58a80fde.jpg "2D Structure of (1S,6R,8R,11R,23S,24R,25S)-23-hydroxy-17,18-dimethoxy-4-methyl-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 | 98.94% | 85.14% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.57% | 96.09% |
| CHEMBL204 | P00734 | Thrombin | 97.27% | 96.01% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 95.81% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.52% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.08% | 98.95% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 94.08% | 92.94% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 92.47% | 94.00% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 92.10% | 89.63% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 90.43% | 90.71% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 87.86% | 93.40% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.60% | 95.89% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 85.93% | 94.75% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 85.83% | 91.11% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 85.67% | 100.00% |
| CHEMBL3713062 | P10646 | Tissue factor pathway inhibitor | 85.44% | 97.33% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 84.58% | 97.14% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 84.12% | 93.03% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.98% | 99.23% |
| CHEMBL4829 | O00763 | Acetyl-CoA carboxylase 2 | 82.44% | 98.00% |
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 | 162919117 |
| LOTUS | LTS0237173 |
| wikiData | Q105130778 |