5-Hydroxy-6-methoxy-3-phenyl-7-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxychromen-4-one
| Internal ID | b536162a-a39d-44b4-9462-865be9d0f6df |
| Taxonomy | Phenylpropanoids and polyketides > Isoflavonoids > Isoflavonoid O-glycosides |
| IUPAC Name | 5-hydroxy-6-methoxy-3-phenyl-7-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxychromen-4-one |
| SMILES (Canonical) | CC1C(C(C(C(O1)OC2=C(C(=C3C(=C2)OC=C(C3=O)C4=CC=CC=C4)O)OC)O)O)O |
| SMILES (Isomeric) | CC1C(C(C(C(O1)OC2=C(C(=C3C(=C2)OC=C(C3=O)C4=CC=CC=C4)O)OC)O)O)O |
| InChI | InChI=1S/C22H22O9/c1-10-16(23)19(26)20(27)22(30-10)31-14-8-13-15(18(25)21(14)28-2)17(24)12(9-29-13)11-6-4-3-5-7-11/h3-10,16,19-20,22-23,25-27H,1-2H3 |
| InChI Key | DAPATAKSYUBCLS-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C22H22O9 |
| Molecular Weight | 430.40 g/mol |
| Exact Mass | 430.12638228 g/mol |
| Topological Polar Surface Area (TPSA) | 135.00 Ų |
| XlogP | 1.70 |
| 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 | 99.24% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.28% | 98.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 96.87% | 86.33% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 95.57% | 89.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.01% | 95.56% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 92.12% | 94.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 87.93% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 86.98% | 99.17% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.43% | 99.23% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 84.26% | 85.14% |
| CHEMBL4306 | P22460 | Voltage-gated potassium channel subunit Kv1.5 | 83.04% | 94.03% |
| CHEMBL4302 | P08183 | P-glycoprotein 1 | 82.74% | 92.98% |
| CHEMBL2345 | P51812 | Ribosomal protein S6 kinase alpha 3 | 80.72% | 95.64% |
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.
| Pterocarpus marsupium |
| PubChem | 162911883 |
| LOTUS | LTS0076831 |
| wikiData | Q104973799 |