Leiocalycin
| Internal ID | 1af13b14-a994-44cb-aed5-8347fdb30e7c |
| Taxonomy | Phenylpropanoids and polyketides > Isoflavonoids > Furanoisoflavonoids > Pterocarpans |
| IUPAC Name | 14,16-dimethoxy-5,7,11,19-tetraoxapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(12),2,4(8),9,13,15,17-heptaen-15-ol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C18H14O7/c1-20-14-5-13-15(18(21-2)16(14)19)17-9(6-22-13)8-3-11-12(24-7-23-11)4-10(8)25-17/h3-5,19H,6-7H2,1-2H3 |
| InChI Key | QBUHOSURLPCJPE-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C18H14O7 |
| Molecular Weight | 342.30 g/mol |
| Exact Mass | 342.07395278 g/mol |
| Topological Polar Surface Area (TPSA) | 79.50 Ų |
| XlogP | 2.90 |
| 2-Hydroxy-1,3-dimethoxy-8,9-methylenedioxypterocarpene |
| LMPK12070157 |
| 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 | 99.52% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 97.39% | 94.45% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 95.45% | 96.77% |
| CHEMBL2002 | P12268 | Inosine-5'-monophosphate dehydrogenase 2 | 92.40% | 98.21% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 91.99% | 92.62% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 91.59% | 89.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 90.58% | 94.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.83% | 95.56% |
| CHEMBL2535 | P11166 | Glucose transporter | 86.98% | 98.75% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.82% | 86.33% |
| CHEMBL4225 | P49760 | Dual specificity protein kinase CLK2 | 85.76% | 80.96% |
| CHEMBL235 | P37231 | Peroxisome proliferator-activated receptor gamma | 84.32% | 95.39% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 82.68% | 94.80% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 82.48% | 90.00% |
| CHEMBL4306 | P22460 | Voltage-gated potassium channel subunit Kv1.5 | 82.17% | 94.03% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.04% | 100.00% |
| CHEMBL215 | P09917 | Arachidonate 5-lipoxygenase | 81.10% | 92.68% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 80.52% | 94.73% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 80.38% | 96.21% |
| CHEMBL2581 | P07339 | Cathepsin D | 80.33% | 98.95% |
| CHEMBL5311 | P37023 | Serine/threonine-protein kinase receptor R3 | 80.20% | 82.67% |
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.
| Swartzia leiocalycina |
| PubChem | 44257504 |
| LOTUS | LTS0066574 |
| wikiData | Q105218010 |