Deoxydynemicin A
| Internal ID | 4098ed7e-ddba-48fa-83d8-a3b73bf70584 |
| Taxonomy | Benzenoids > Anthracenes > Anthraquinones |
| IUPAC Name | (11Z)-21,28-dihydroxy-7-methoxy-5-methyl-19,26-dioxo-3-oxa-16-azaheptacyclo[15.12.0.02,4.02,8.04,15.018,27.020,25]nonacosa-1(29),6,11,17,20(25),21,23,27-octaen-9,13-diyne-6-carboxylic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C30H19NO8/c1-13-20(28(36)37)27(38-2)15-9-5-3-4-6-11-19-29(13)30(15,39-29)16-12-18(33)22-23(24(16)31-19)26(35)21-14(25(22)34)8-7-10-17(21)32/h3-4,7-8,10,12-13,15,19,31-33H,1-2H3,(H,36,37)/b4-3- |
| InChI Key | RVUGUFLMKMPZBW-ARJAWSKDSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C30H19NO8 |
| Molecular Weight | 521.50 g/mol |
| Exact Mass | 521.11106656 g/mol |
| Topological Polar Surface Area (TPSA) | 146.00 Ų |
| XlogP | 3.60 |
| 130640-33-4 |
| (11Z)-21,28-dihydroxy-7-methoxy-5-methyl-19,26-dioxo-3-oxa-16-azaheptacyclo[15.12.0.02,4.02,8.04,15.018,27.020,25]nonacosa-1(29),6,11,17,20(25),21,23,27-octaen-9,13-diyne-6-carboxylic acid |
| 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 | 98.32% | 91.11% |
| CHEMBL1966 | Q02127 | Dihydroorotate dehydrogenase | 97.94% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.50% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 96.38% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.83% | 96.09% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 92.40% | 99.15% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 92.25% | 99.23% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.15% | 86.33% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 88.65% | 93.03% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 85.34% | 96.38% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.32% | 89.00% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 85.07% | 91.19% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 84.92% | 94.75% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 84.77% | 90.71% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 84.60% | 94.73% |
| CHEMBL2146302 | O94925 | Glutaminase kidney isoform, mitochondrial | 84.31% | 100.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 81.32% | 90.00% |
| CHEMBL2094127 | P06493 | Cyclin-dependent kinase 1/cyclin B | 80.97% | 96.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 80.20% | 94.00% |
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 | 6444006 |
| LOTUS | LTS0084821 |
| wikiData | Q105246324 |