(21S,22S,23R)-4-chloro-22-hydroxy-11,23-dimethyl-21-propyl-24-oxa-20-azahexacyclo[19.3.1.02,19.05,18.07,16.08,13]pentacosa-2,4,7(16),8(13),9,11,14,18-octaene-6,17-dione
| Internal ID | 3da61203-195c-4d6a-bcbd-8258f8918387 |
| Taxonomy | Phenylpropanoids and polyketides > Angucyclines |
| IUPAC Name | (21S,22S,23R)-4-chloro-22-hydroxy-11,23-dimethyl-21-propyl-24-oxa-20-azahexacyclo[19.3.1.02,19.05,18.07,16.08,13]pentacosa-2,4,7(16),8(13),9,11,14,18-octaene-6,17-dione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C28H26ClNO4/c1-4-9-28-12-20(34-14(3)27(28)33)18-11-19(29)22-23(24(18)30-28)25(31)17-8-6-15-10-13(2)5-7-16(15)21(17)26(22)32/h5-8,10-11,14,20,27,30,33H,4,9,12H2,1-3H3/t14-,20?,27-,28+/m1/s1 |
| InChI Key | FZQRJKWDBLIHPW-ZVLXKKIOSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C28H26ClNO4 |
| Molecular Weight | 476.00 g/mol |
| Exact Mass | 475.1550360 g/mol |
| Topological Polar Surface Area (TPSA) | 75.60 Ų |
| XlogP | 5.60 |
| There are no found synonyms. |
![2D Structure of (21S,22S,23R)-4-chloro-22-hydroxy-11,23-dimethyl-21-propyl-24-oxa-20-azahexacyclo[19.3.1.02,19.05,18.07,16.08,13]pentacosa-2,4,7(16),8(13),9,11,14,18-octaene-6,17-dione](https://plantaedb.com/storage/docs/compounds/2023/11/d65dcd90-85fa-11ee-89b0-5b986c6ac4a0.jpg "2D Structure of (21S,22S,23R)-4-chloro-22-hydroxy-11,23-dimethyl-21-propyl-24-oxa-20-azahexacyclo[19.3.1.02,19.05,18.07,16.08,13]pentacosa-2,4,7(16),8(13),9,11,14,18-octaene-6,17-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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 98.94% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.50% | 91.11% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 95.64% | 96.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.45% | 95.56% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 92.72% | 94.73% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.67% | 94.45% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 92.16% | 89.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 91.58% | 90.71% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.34% | 96.09% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 90.78% | 89.62% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.61% | 97.09% |
| CHEMBL2094127 | P06493 | Cyclin-dependent kinase 1/cyclin B | 90.57% | 96.00% |
| CHEMBL4581 | P52732 | Kinesin-like protein 1 | 90.48% | 93.18% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 89.46% | 93.03% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 88.17% | 90.17% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 87.99% | 97.21% |
| CHEMBL240 | Q12809 | HERG | 87.73% | 89.76% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 87.27% | 94.00% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 86.46% | 97.25% |
| CHEMBL4530 | P00488 | Coagulation factor XIII | 85.59% | 96.00% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 84.68% | 96.21% |
| CHEMBL220 | P22303 | Acetylcholinesterase | 83.77% | 94.45% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 83.61% | 96.90% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.29% | 86.33% |
| CHEMBL5979 | P05186 | Alkaline phosphatase, tissue-nonspecific isozyme | 82.45% | 85.40% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 81.54% | 90.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.33% | 95.89% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.31% | 100.00% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 80.78% | 96.61% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 80.43% | 89.34% |
| CHEMBL3012 | Q13946 | Phosphodiesterase 7A | 80.26% | 99.29% |
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.
| There are no matching plants. |
| PubChem | 162961004 |
| LOTUS | LTS0083207 |
| wikiData | Q105005122 |