(11-Chloro-12,20,21-trimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl) propanoate
| Internal ID | 7893cd10-b94b-4e62-8de9-0d2123b387c6 |
| Taxonomy | Phenylpropanoids and polyketides > Macrolactams |
| IUPAC Name | (11-chloro-12,20,21-trimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl) propanoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C32H43ClN2O9/c1-9-27(37)43-25-16-26(36)35(5)21-14-20(15-22(39-6)28(21)33)13-18(2)11-10-12-24(40-7)32(41-8)17-23(42-30(38)34-32)19(3)29-31(25,4)44-29/h10-12,14-15,19,23-25,29H,9,13,16-17H2,1-8H3,(H,34,38) |
| InChI Key | SPMKSUQFIONEER-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C32H43ClN2O9 |
| Molecular Weight | 635.10 g/mol |
| Exact Mass | 634.2657086 g/mol |
| Topological Polar Surface Area (TPSA) | 125.00 Ų |
| XlogP | 3.10 |
| There are no found synonyms. |
![2D Structure of (11-Chloro-12,20,21-trimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl) propanoate](https://plantaedb.com/storage/docs/compounds/2023/11/adb60790-856f-11ee-884f-e3145866302d.jpg "2D Structure of (11-Chloro-12,20,21-trimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl) propanoate")
| 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 | 99.41% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 97.39% | 85.14% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 97.36% | 97.25% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.33% | 94.45% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 94.89% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.03% | 95.56% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 92.16% | 94.00% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 90.95% | 83.82% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 90.91% | 91.11% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 90.07% | 95.89% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 87.73% | 90.00% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 87.47% | 97.14% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 84.84% | 92.62% |
| CHEMBL1914 | P06276 | Butyrylcholinesterase | 84.63% | 95.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 84.24% | 94.73% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 84.23% | 89.50% |
| CHEMBL5314 | Q06418 | Tyrosine-protein kinase receptor TYRO3 | 83.24% | 96.00% |
| CHEMBL1871 | P10275 | Androgen Receptor | 82.58% | 96.43% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 82.32% | 95.62% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 81.62% | 98.59% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 81.37% | 99.17% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 81.34% | 97.09% |
| CHEMBL2094127 | P06493 | Cyclin-dependent kinase 1/cyclin B | 81.33% | 96.00% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 81.12% | 96.95% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 81.01% | 96.90% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 80.90% | 100.00% |
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.
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| There are no matching plants. |
| PubChem | 162868551 |
| LOTUS | LTS0125830 |
| wikiData | Q104197495 |