Diaporthemin B
| Internal ID | 131deff1-64a8-4f75-af5f-6268bd1255eb |
| Taxonomy | Benzenoids > Anthracenes > Anthraquinones > Hydroxyanthraquinones |
| IUPAC Name | 2,4,5-trihydroxy-7-methyl-1-(1,6,9-trihydroxy-3-methoxy-6-methyl-8-oxo-5,7-dihydroanthracen-2-yl)anthracene-9,10-dione |
| SMILES (Canonical) | CC1=CC2=C(C(=C1)O)C(=O)C3=C(C=C(C(=C3C2=O)C4=C(C5=C(C6=C(CC(CC6=O)(C)O)C=C5C=C4OC)O)O)O)O |
| SMILES (Isomeric) | CC1=CC2=C(C(=C1)O)C(=O)C3=C(C=C(C(=C3C2=O)C4=C(C5=C(C6=C(CC(CC6=O)(C)O)C=C5C=C4OC)O)O)O)O |
| InChI | InChI=1S/C31H24O10/c1-11-4-14-22(15(32)5-11)30(39)24-17(34)8-16(33)23(26(24)27(14)36)25-19(41-3)7-12-6-13-9-31(2,40)10-18(35)20(13)28(37)21(12)29(25)38/h4-8,32-34,37-38,40H,9-10H2,1-3H3 |
| InChI Key | UGOISXSTWKCKOR-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C31H24O10 |
| Molecular Weight | 556.50 g/mol |
| Exact Mass | 556.13694696 g/mol |
| Topological Polar Surface Area (TPSA) | 182.00 Ų |
| XlogP | 4.70 |
| There are no found synonyms. |
| 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% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 95.13% | 96.21% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 94.62% | 99.23% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.39% | 95.56% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 94.29% | 94.00% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 93.68% | 94.75% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 93.45% | 99.15% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 93.39% | 85.14% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 92.15% | 90.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.99% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.90% | 98.95% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 91.75% | 92.94% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.45% | 86.33% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 90.32% | 93.99% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 88.74% | 96.67% |
| CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 88.41% | 91.79% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 88.29% | 93.03% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.19% | 89.00% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 87.74% | 91.49% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 86.37% | 91.00% |
| CHEMBL4829 | O00763 | Acetyl-CoA carboxylase 2 | 85.50% | 98.00% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 84.99% | 91.19% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 84.60% | 91.03% |
| CHEMBL2708 | Q16584 | Mitogen-activated protein kinase kinase kinase 11 | 83.96% | 81.14% |
| CHEMBL3864 | Q06124 | Protein-tyrosine phosphatase 2C | 83.38% | 94.42% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 83.33% | 91.07% |
| CHEMBL215 | P09917 | Arachidonate 5-lipoxygenase | 83.22% | 92.68% |
| CHEMBL2535 | P11166 | Glucose transporter | 81.79% | 98.75% |
| CHEMBL2964 | P36507 | Dual specificity mitogen-activated protein kinase kinase 2 | 81.63% | 80.00% |
| CHEMBL5925 | P22413 | Ectonucleotide pyrophosphatase/phosphodiesterase family member 1 | 80.27% | 92.38% |
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 | 101873453 |
| LOTUS | LTS0133956 |
| wikiData | Q77518140 |