20-Chloro-5,7,8,12-tetrahydroxy-13-methoxy-22-methyl-21-propyl-3-oxa-22-azahexacyclo[12.12.0.02,11.04,9.017,26.019,24]hexacosa-1(14),2(11),4(9),12,15,17(26),19(24),20-octaene-10,18,23,25-tetrone
| Internal ID | e0959f3d-0639-4821-93bc-091ef6f654c6 |
| Taxonomy | Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > Xanthones |
| IUPAC Name | 20-chloro-5,7,8,12-tetrahydroxy-13-methoxy-22-methyl-21-propyl-3-oxa-22-azahexacyclo[12.12.0.02,11.04,9.017,26.019,24]hexacosa-1(14),2(11),4(9),12,15,17(26),19(24),20-octaene-10,18,23,25-tetrone |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C29H24ClNO10/c1-4-5-11-20(30)16-17(29(39)31(11)2)23(36)14-9(21(16)34)6-7-10-15(14)28-19(25(38)26(10)40-3)24(37)18-22(35)12(32)8-13(33)27(18)41-28/h6-7,12-13,22,32-33,35,38H,4-5,8H2,1-3H3 |
| InChI Key | DKKCYFNZVNYTLD-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C29H24ClNO10 |
| Molecular Weight | 582.00 g/mol |
| Exact Mass | 581.1088737 g/mol |
| Topological Polar Surface Area (TPSA) | 171.00 Ų |
| XlogP | 1.60 |
| There are no found synonyms. |
![2D Structure of 20-Chloro-5,7,8,12-tetrahydroxy-13-methoxy-22-methyl-21-propyl-3-oxa-22-azahexacyclo[12.12.0.02,11.04,9.017,26.019,24]hexacosa-1(14),2(11),4(9),12,15,17(26),19(24),20-octaene-10,18,23,25-tetrone](https://plantaedb.com/storage/docs/compounds/2023/11/867dfe30-83b5-11ee-8e06-d340c5b6defb.jpg "2D Structure of 20-Chloro-5,7,8,12-tetrahydroxy-13-methoxy-22-methyl-21-propyl-3-oxa-22-azahexacyclo[12.12.0.02,11.04,9.017,26.019,24]hexacosa-1(14),2(11),4(9),12,15,17(26),19(24),20-octaene-10,18,23,25-tetrone")
| 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 | 99.01% | 98.95% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 97.41% | 94.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.35% | 91.11% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 94.84% | 89.00% |
| CHEMBL4835 | P00338 | L-lactate dehydrogenase A chain | 94.83% | 95.34% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.45% | 95.56% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 93.46% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.09% | 96.09% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 90.56% | 86.92% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 90.17% | 95.89% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 89.32% | 85.94% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.93% | 94.45% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.93% | 86.33% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 87.09% | 91.49% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 86.68% | 90.71% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 86.20% | 95.17% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 85.74% | 92.62% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 85.26% | 96.95% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 84.93% | 95.93% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 84.75% | 96.77% |
| CHEMBL2140 | P48775 | Tryptophan 2,3-dioxygenase | 84.75% | 98.46% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 84.05% | 98.59% |
| CHEMBL3864 | Q06124 | Protein-tyrosine phosphatase 2C | 83.54% | 94.42% |
| CHEMBL1871 | P10275 | Androgen Receptor | 83.30% | 96.43% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 82.32% | 100.00% |
| CHEMBL3820 | P35557 | Hexokinase type IV | 81.21% | 91.96% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 80.93% | 96.67% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 80.01% | 97.14% |
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 | 162873686 |
| LOTUS | LTS0019802 |
| wikiData | Q103818471 |