(1S,9S,10R,13R,21R)-8-acetyl-6-hydroxy-5-methoxy-13,16-dimethyl-12-oxa-8,16-diazapentacyclo[8.8.3.01,9.02,7.014,21]henicosa-2(7),3,5,14-tetraen-19-one
| Internal ID | 5c97a228-cb82-4954-b720-7d49c38724e5 |
| Taxonomy | Organoheterocyclic compounds > Indoles and derivatives > Carbazoles |
| IUPAC Name | (1S,9S,10R,13R,21R)-8-acetyl-6-hydroxy-5-methoxy-13,16-dimethyl-12-oxa-8,16-diazapentacyclo[8.8.3.01,9.02,7.014,21]henicosa-2(7),3,5,14-tetraen-19-one |
| SMILES (Canonical) | CC1C2=CN(CCC34C(C(C2CC3=O)CO1)N(C5=C4C=CC(=C5O)OC)C(=O)C)C |
| SMILES (Isomeric) | C[C@@H]1C2=CN(CC[C@]34[C@H]([C@@H]([C@H]2CC3=O)CO1)N(C5=C4C=CC(=C5O)OC)C(=O)C)C |
| InChI | InChI=1S/C23H28N2O5/c1-12-15-10-24(3)8-7-23-17-5-6-18(29-4)21(28)20(17)25(13(2)26)22(23)16(11-30-12)14(15)9-19(23)27/h5-6,10,12,14,16,22,28H,7-9,11H2,1-4H3/t12-,14+,16-,22+,23-/m1/s1 |
| InChI Key | YBZBDOKOKXHVDG-GEMKWAJLSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C23H28N2O5 |
| Molecular Weight | 412.50 g/mol |
| Exact Mass | 412.19982200 g/mol |
| Topological Polar Surface Area (TPSA) | 79.30 Ų |
| XlogP | 0.50 |
| There are no found synonyms. |
![2D Structure of (1S,9S,10R,13R,21R)-8-acetyl-6-hydroxy-5-methoxy-13,16-dimethyl-12-oxa-8,16-diazapentacyclo[8.8.3.01,9.02,7.014,21]henicosa-2(7),3,5,14-tetraen-19-one](https://plantaedb.com/storage/docs/compounds/2023/11/5af7a6f0-86fd-11ee-ad32-bbd9f8a13a75.jpg "2D Structure of (1S,9S,10R,13R,21R)-8-acetyl-6-hydroxy-5-methoxy-13,16-dimethyl-12-oxa-8,16-diazapentacyclo[8.8.3.01,9.02,7.014,21]henicosa-2(7),3,5,14-tetraen-19-one")
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.05% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 97.60% | 85.14% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.85% | 91.11% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 95.20% | 94.00% |
| CHEMBL3864 | Q06124 | Protein-tyrosine phosphatase 2C | 94.61% | 94.42% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 94.58% | 86.33% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 91.78% | 92.94% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 91.06% | 90.71% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.70% | 95.56% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 89.02% | 90.00% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 88.32% | 100.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.53% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 86.42% | 98.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.96% | 89.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 82.51% | 99.23% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 82.20% | 92.62% |
| CHEMBL2095226 | P05556 | Integrin alpha-5/beta-1 | 82.15% | 96.39% |
| CHEMBL4829 | O00763 | Acetyl-CoA carboxylase 2 | 82.10% | 98.00% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 81.72% | 85.11% |
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 mattogrossensis |
| PubChem | 162899142 |
| LOTUS | LTS0262940 |
| wikiData | Q105346126 |