18-Chloro-7,13,19,24-tetrahydroxy-9,17-dimethyl-4,22-dioxaheptacyclo[12.9.1.11,16.12,6.02,13.010,26.020,25]hexacosa-6,8,10(26),16,18,20(25)-hexaene-5,11,15,21-tetrone
| Internal ID | 0581636c-c9a1-4cd8-a5a5-760ad5e9a127 |
| Taxonomy | Benzenoids > Tetralins |
| IUPAC Name | 18-chloro-7,13,19,24-tetrahydroxy-9,17-dimethyl-4,22-dioxaheptacyclo[12.9.1.11,16.12,6.02,13.010,26.020,25]hexacosa-6,8,10(26),16,18,20(25)-hexaene-5,11,15,21-tetrone |
| SMILES (Canonical) | CC1=CC(=C2C3=C1C(=O)CC4(C3(COC2=O)C56COC(=O)C7=C5C(=C(C(=C7O)Cl)C)C(=O)C4C6O)O)O |
| SMILES (Isomeric) | CC1=CC(=C2C3=C1C(=O)CC4(C3(COC2=O)C56COC(=O)C7=C5C(=C(C(=C7O)Cl)C)C(=O)C4C6O)O)O |
| InChI | InChI=1S/C26H19ClO10/c1-7-3-9(28)13-16-11(7)10(29)4-26(35)17-19(30)12-8(2)18(27)20(31)14-15(12)24(21(17)32,5-36-23(14)34)25(16,26)6-37-22(13)33/h3,17,21,28,31-32,35H,4-6H2,1-2H3 |
| InChI Key | YNFQXIDQMWVTNH-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C26H19ClO10 |
| Molecular Weight | 526.90 g/mol |
| Exact Mass | 526.0666745 g/mol |
| Topological Polar Surface Area (TPSA) | 168.00 Ų |
| XlogP | 2.10 |
| There are no found synonyms. |
![2D Structure of 18-Chloro-7,13,19,24-tetrahydroxy-9,17-dimethyl-4,22-dioxaheptacyclo[12.9.1.11,16.12,6.02,13.010,26.020,25]hexacosa-6,8,10(26),16,18,20(25)-hexaene-5,11,15,21-tetrone](https://plantaedb.com/storage/docs/compounds/2023/11/2d086800-8363-11ee-808d-5360d519057b.jpg "2D Structure of 18-Chloro-7,13,19,24-tetrahydroxy-9,17-dimethyl-4,22-dioxaheptacyclo[12.9.1.11,16.12,6.02,13.010,26.020,25]hexacosa-6,8,10(26),16,18,20(25)-hexaene-5,11,15,21-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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.31% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.12% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.77% | 95.56% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 95.29% | 93.40% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.90% | 94.45% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 92.40% | 99.15% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 88.83% | 94.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.13% | 89.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.94% | 86.33% |
| CHEMBL2094127 | P06493 | Cyclin-dependent kinase 1/cyclin B | 87.56% | 96.00% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 87.06% | 96.77% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 87.06% | 94.73% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.21% | 95.89% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.65% | 97.09% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 85.52% | 91.07% |
| CHEMBL1929 | P47989 | Xanthine dehydrogenase | 85.50% | 96.12% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 84.71% | 98.75% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.39% | 100.00% |
| CHEMBL4530 | P00488 | Coagulation factor XIII | 83.59% | 96.00% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 82.30% | 93.03% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 82.09% | 99.23% |
| CHEMBL4835 | P00338 | L-lactate dehydrogenase A chain | 81.70% | 95.34% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 81.17% | 90.93% |
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 | 163077550 |
| LOTUS | LTS0095124 |
| wikiData | Q105350913 |