(1S,6R,8R,11R,23S,24R,25S)-16,23-dihydroxy-17-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 | f46e4801-f282-4163-b46f-d00871f00f21 |
| Taxonomy | Organoheterocyclic compounds > Indoles and derivatives > Carbazoles |
| IUPAC Name | (1S,6R,8R,11R,23S,24R,25S)-16,23-dihydroxy-17-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(CC(=O)N4C6=C2C=CC(=C6O)OC)OCC7C(C1)(C5(CC3=O)O)O7 |
| SMILES (Isomeric) | CN1CC[C@@]23[C@@H]4[C@@H]5[C@@H](CC(=O)N4C6=C2C=CC(=C6O)OC)OC[C@@H]7[C@](C1)([C@@]5(CC3=O)O)O7 |
| InChI | InChI=1S/C23H26N2O7/c1-24-6-5-21-11-3-4-12(30-2)19(28)18(11)25-16(27)7-13-17(20(21)25)22(29,8-14(21)26)23(10-24)15(32-23)9-31-13/h3-4,13,15,17,20,28-29H,5-10H2,1-2H3/t13-,15-,17+,20+,21-,22+,23-/m1/s1 |
| InChI Key | HREJLPFUKDHGCI-RFODAVDNSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C23H26N2O7 |
| Molecular Weight | 442.50 g/mol |
| Exact Mass | 442.17400117 g/mol |
| Topological Polar Surface Area (TPSA) | 112.00 Ų |
| XlogP | -1.40 |
| There are no found synonyms. |
![2D Structure of (1S,6R,8R,11R,23S,24R,25S)-16,23-dihydroxy-17-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/2023/11/2f3e40e0-8398-11ee-9355-e3c61b091b0c.jpg "2D Structure of (1S,6R,8R,11R,23S,24R,25S)-16,23-dihydroxy-17-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 | 98.83% | 85.14% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.63% | 96.09% |
| CHEMBL204 | P00734 | Thrombin | 97.60% | 96.01% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.43% | 95.56% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 95.16% | 94.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 94.42% | 86.33% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.68% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.18% | 91.11% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 90.82% | 95.89% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 88.38% | 99.23% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 87.87% | 94.75% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 85.81% | 90.71% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 85.71% | 100.00% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 85.52% | 97.25% |
| CHEMBL4829 | O00763 | Acetyl-CoA carboxylase 2 | 84.00% | 98.00% |
| CHEMBL3713062 | P10646 | Tissue factor pathway inhibitor | 83.44% | 97.33% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 82.79% | 92.94% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 81.86% | 93.40% |
| CHEMBL2094127 | P06493 | Cyclin-dependent kinase 1/cyclin B | 80.56% | 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 | 162955761 |
| LOTUS | LTS0099433 |
| wikiData | Q105032624 |