(1S,4S,5S)-4-hydroxy-5-methoxy-13-methyl-6-oxa-13-azapentacyclo[8.6.2.11,5.07,17.014,18]nonadeca-7(17),9,11,14(18)-tetraen-8-one
| Internal ID | 49d65839-4c67-4667-8615-c9c0358f150a |
| Taxonomy | Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > Chromenopyridines |
| IUPAC Name | (1S,4S,5S)-4-hydroxy-5-methoxy-13-methyl-6-oxa-13-azapentacyclo[8.6.2.11,5.07,17.014,18]nonadeca-7(17),9,11,14(18)-tetraen-8-one |
| SMILES (Canonical) | CN1C=CC2=CC(=O)C3=C4C2=C1CCC45CCC(C(C5)(O3)OC)O |
| SMILES (Isomeric) | CN1C=CC2=CC(=O)C3=C4C2=C1CC[C@@]45CC[C@@H]([C@](C5)(O3)OC)O |
| InChI | InChI=1S/C19H21NO4/c1-20-8-5-11-9-13(21)17-16-15(11)12(20)3-6-18(16)7-4-14(22)19(10-18,23-2)24-17/h5,8-9,14,22H,3-4,6-7,10H2,1-2H3/t14-,18-,19-/m0/s1 |
| InChI Key | LYIPGIVTBMLULB-JVPBZIDWSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C19H21NO4 |
| Molecular Weight | 327.40 g/mol |
| Exact Mass | 327.14705815 g/mol |
| Topological Polar Surface Area (TPSA) | 59.00 Ų |
| XlogP | 0.70 |
| There are no found synonyms. |
![2D Structure of (1S,4S,5S)-4-hydroxy-5-methoxy-13-methyl-6-oxa-13-azapentacyclo[8.6.2.11,5.07,17.014,18]nonadeca-7(17),9,11,14(18)-tetraen-8-one](https://plantaedb.com/storage/docs/compounds/2023/11/269aeb80-85ab-11ee-bb02-a3473bbc35c2.jpg "2D Structure of (1S,4S,5S)-4-hydroxy-5-methoxy-13-methyl-6-oxa-13-azapentacyclo[8.6.2.11,5.07,17.014,18]nonadeca-7(17),9,11,14(18)-tetraen-8-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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 97.28% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.91% | 96.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.22% | 86.33% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.21% | 91.11% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 90.99% | 95.89% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.85% | 89.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 88.98% | 94.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.60% | 95.56% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 88.49% | 93.40% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 87.38% | 94.75% |
| CHEMBL1871 | P10275 | Androgen Receptor | 87.32% | 96.43% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 87.00% | 83.82% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 85.51% | 92.62% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.44% | 97.09% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 84.41% | 90.71% |
| CHEMBL1966 | Q02127 | Dihydroorotate dehydrogenase | 83.40% | 96.09% |
| CHEMBL2146302 | O94925 | Glutaminase kidney isoform, mitochondrial | 81.77% | 100.00% |
| CHEMBL4940 | P07195 | L-lactate dehydrogenase B chain | 81.66% | 95.53% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 81.48% | 95.93% |
| CHEMBL6175 | Q9H3R0 | Lysine-specific demethylase 4C | 81.48% | 96.69% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.64% | 100.00% |
| CHEMBL2083 | P15090 | Fatty acid binding protein adipocyte | 80.54% | 95.71% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 80.26% | 90.24% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 80.14% | 93.04% |
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.
| Colchicum kesselringii |
| PubChem | 163195280 |
| LOTUS | LTS0090544 |
| wikiData | Q105159348 |