Adametizine A
| Internal ID | 57084252-d020-40fb-8124-1aff50b2da1e |
| Taxonomy | Benzenoids > Phenols > Methoxyphenols |
| IUPAC Name | (1R,3R,4R,7R,8S,12S,13R)-4-chloro-3,7-dihydroxy-13-(2-hydroxy-3,4-dimethoxyphenyl)-17-methyl-9-oxa-14,15-dithia-10,17-diazatetracyclo[10.3.2.01,10.03,8]heptadec-5-ene-11,16-dione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C21H23ClN2O8S2/c1-23-13-16(9-4-6-11(30-2)15(31-3)14(9)26)33-34-21(19(23)28)8-20(29)12(22)7-5-10(25)17(20)32-24(21)18(13)27/h4-7,10,12-13,16-17,25-26,29H,8H2,1-3H3/t10-,12-,13-,16-,17+,20+,21-/m1/s1 |
| InChI Key | AWPMMJDFXQCEES-BFBGDVCSSA-N |
| Popularity | 6 references in papers |
| Molecular Formula | C21H23ClN2O8S2 |
| Molecular Weight | 531.00 g/mol |
| Exact Mass | 530.0584357 g/mol |
| Topological Polar Surface Area (TPSA) | 180.00 Ų |
| XlogP | 0.30 |
| CHEMBL4073822 |
| 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 | 98.23% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.88% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.25% | 95.56% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 90.88% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.79% | 94.45% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 90.49% | 96.77% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.06% | 86.33% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 89.73% | 93.40% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 89.66% | 94.00% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 86.27% | 93.99% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.83% | 95.89% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 85.32% | 97.25% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.26% | 89.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 83.86% | 90.00% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 83.16% | 95.62% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 82.83% | 99.23% |
| CHEMBL3713062 | P10646 | Tissue factor pathway inhibitor | 82.19% | 97.33% |
| CHEMBL2085 | P14174 | Macrophage migration inhibitory factor | 80.88% | 80.78% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 80.83% | 91.00% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 80.77% | 100.00% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 80.76% | 82.38% |
| CHEMBL4829 | O00763 | Acetyl-CoA carboxylase 2 | 80.57% | 98.00% |
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.
To see more specific details click the taxa you are interested in.
| There are no matching plants. |
| PubChem | 132552383 |
| LOTUS | LTS0070578 |
| wikiData | Q77505400 |