Deoxydehydropodophyllotoxin
| Internal ID | ae119a98-9728-4e39-93f7-9ef77b5fe36e |
| Taxonomy | Lignans, neolignans and related compounds > Arylnaphthalene lignans |
| IUPAC Name | 5-(3,4,5-trimethoxyphenyl)-8H-[2]benzofuro[5,6-f][1,3]benzodioxol-6-one |
| SMILES (Canonical) | COC1=CC(=CC(=C1OC)OC)C2=C3C=C4C(=CC3=CC5=C2C(=O)OC5)OCO4 |
| SMILES (Isomeric) | COC1=CC(=CC(=C1OC)OC)C2=C3C=C4C(=CC3=CC5=C2C(=O)OC5)OCO4 |
| InChI | InChI=1S/C22H18O7/c1-24-17-6-12(7-18(25-2)21(17)26-3)19-14-8-16-15(28-10-29-16)5-11(14)4-13-9-27-22(23)20(13)19/h4-8H,9-10H2,1-3H3 |
| InChI Key | SSVGOUAYPDYOAE-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C22H18O7 |
| Molecular Weight | 394.40 g/mol |
| Exact Mass | 394.10525291 g/mol |
| Topological Polar Surface Area (TPSA) | 72.40 Ų |
| XlogP | 4.00 |
| CHEMBL518677 |
| 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 | 97.00% | 91.11% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 96.21% | 96.77% |
| CHEMBL4302 | P08183 | P-glycoprotein 1 | 96.11% | 92.98% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 95.77% | 85.14% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.06% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.66% | 86.33% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 92.48% | 92.62% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 90.46% | 94.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.94% | 94.45% |
| CHEMBL5925 | P22413 | Ectonucleotide pyrophosphatase/phosphodiesterase family member 1 | 88.16% | 92.38% |
| CHEMBL2002 | P12268 | Inosine-5'-monophosphate dehydrogenase 2 | 87.00% | 98.21% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 86.59% | 94.80% |
| CHEMBL2581 | P07339 | Cathepsin D | 85.37% | 98.95% |
| CHEMBL1966 | Q02127 | Dihydroorotate dehydrogenase | 85.23% | 96.09% |
| CHEMBL2535 | P11166 | Glucose transporter | 84.25% | 98.75% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.93% | 99.23% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 83.90% | 89.63% |
| CHEMBL5311 | P37023 | Serine/threonine-protein kinase receptor R3 | 83.40% | 82.67% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 83.25% | 94.73% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 83.22% | 99.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 83.16% | 96.09% |
| CHEMBL2094127 | P06493 | Cyclin-dependent kinase 1/cyclin B | 82.86% | 96.00% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 82.80% | 96.21% |
| CHEMBL4306 | P22460 | Voltage-gated potassium channel subunit Kv1.5 | 81.97% | 94.03% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 80.91% | 95.50% |
| CHEMBL2717 | Q9HCR9 | Phosphodiesterase 11A | 80.10% | 85.00% |
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.
| Arachis hypogaea |
| Condea verticillata |
| PubChem | 10500814 |
| LOTUS | LTS0117739 |
| wikiData | Q105198134 |