(12S)-5,7,18,20-tetraoxa-24-azahexacyclo[11.11.0.02,10.04,8.014,22.017,21]tetracosa-1(24),2,4(8),9,13,15,17(21),22-octaen-12-ol
| Internal ID | 5663a4b7-f19b-4b67-ac97-8786713dea61 |
| Taxonomy | Organoheterocyclic compounds > Quinolines and derivatives > Benzoquinolines > Phenanthridines and derivatives |
| IUPAC Name | (12S)-5,7,18,20-tetraoxa-24-azahexacyclo[11.11.0.02,10.04,8.014,22.017,21]tetracosa-1(24),2,4(8),9,13,15,17(21),22-octaen-12-ol |
| SMILES (Canonical) | C1C(C2=C3C=CC4=C(C3=CN=C2C5=CC6=C(C=C51)OCO6)OCO4)O |
| SMILES (Isomeric) | C1[C@@H](C2=C3C=CC4=C(C3=CN=C2C5=CC6=C(C=C51)OCO6)OCO4)O |
| InChI | InChI=1S/C19H13NO5/c21-13-3-9-4-15-16(24-7-23-15)5-11(9)18-17(13)10-1-2-14-19(25-8-22-14)12(10)6-20-18/h1-2,4-6,13,21H,3,7-8H2/t13-/m0/s1 |
| InChI Key | PKAFVNJHLLUZFP-ZDUSSCGKSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C19H13NO5 |
| Molecular Weight | 335.30 g/mol |
| Exact Mass | 335.07937252 g/mol |
| Topological Polar Surface Area (TPSA) | 70.00 Ų |
| XlogP | 2.60 |
| There are no found synonyms. |
![2D Structure of (12S)-5,7,18,20-tetraoxa-24-azahexacyclo[11.11.0.02,10.04,8.014,22.017,21]tetracosa-1(24),2,4(8),9,13,15,17(21),22-octaen-12-ol](https://plantaedb.com/storage/docs/compounds/2023/11/c0d44300-860f-11ee-ae75-69c2880fad33.jpg "2D Structure of (12S)-5,7,18,20-tetraoxa-24-azahexacyclo[11.11.0.02,10.04,8.014,22.017,21]tetracosa-1(24),2,4(8),9,13,15,17(21),22-octaen-12-ol")
| 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 |
|---|---|---|---|---|
| CHEMBL1951 | P21397 | Monoamine oxidase A | 95.08% | 91.49% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.97% | 91.11% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 93.92% | 83.82% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 91.68% | 96.77% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 91.27% | 94.80% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 90.76% | 89.00% |
| CHEMBL5311 | P37023 | Serine/threonine-protein kinase receptor R3 | 90.62% | 82.67% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 89.96% | 95.78% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 87.76% | 93.40% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 87.58% | 96.09% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 87.19% | 89.62% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 85.64% | 92.62% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 85.37% | 92.94% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 85.08% | 94.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.99% | 95.89% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.93% | 100.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 82.49% | 98.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.33% | 86.33% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 81.32% | 94.45% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 80.72% | 97.09% |
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.
| Glaucium flavum |
| PubChem | 21763789 |
| LOTUS | LTS0070410 |
| wikiData | Q105210261 |