Peltogynin
| Internal ID | 2cf21730-b1f7-4487-9a23-835d2ecd9e7d |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Pyranoflavonoids |
| IUPAC Name | 2,3,10-trihydroxy-5H-isochromeno[4,3-b]chromen-7-one |
| SMILES (Canonical) | C1C2=CC(=C(C=C2C3=C(O1)C(=O)C4=C(O3)C=C(C=C4)O)O)O |
| SMILES (Isomeric) | C1C2=CC(=C(C=C2C3=C(O1)C(=O)C4=C(O3)C=C(C=C4)O)O)O |
| InChI | InChI=1S/C16H10O6/c17-8-1-2-9-13(4-8)22-15-10-5-12(19)11(18)3-7(10)6-21-16(15)14(9)20/h1-5,17-19H,6H2 |
| InChI Key | QBUSUQDEAYFGJG-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C16H10O6 |
| Molecular Weight | 298.25 g/mol |
| Exact Mass | 298.04773803 g/mol |
| Topological Polar Surface Area (TPSA) | 96.20 Ų |
| XlogP | 1.90 |
| LMPK12113391 |
| 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 | 99.30% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 98.61% | 91.49% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 95.03% | 89.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.94% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.22% | 98.95% |
| CHEMBL242 | Q92731 | Estrogen receptor beta | 92.08% | 98.35% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 85.97% | 93.40% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.00% | 94.45% |
| CHEMBL3194 | P02766 | Transthyretin | 84.54% | 90.71% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 84.03% | 94.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.56% | 99.23% |
| CHEMBL2535 | P11166 | Glucose transporter | 82.42% | 98.75% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 82.04% | 99.15% |
| CHEMBL2085 | P14174 | Macrophage migration inhibitory factor | 81.98% | 80.78% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.61% | 100.00% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 80.08% | 93.99% |
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.
| Acacia carneorum |
| Acacia crombiei |
| Colophospermum mopane |
| PubChem | 12314036 |
| LOTUS | LTS0098591 |
| wikiData | Q105218025 |