(5aR,10bR)-1,3,8,10b-tetrahydroxy-10-methoxy-7-(3-methylbut-2-enyl)-5aH-[1]benzofuro[2,3-b]chromen-11-one
| Internal ID | 9ce7cc6f-0910-439a-86ee-d1f8dc858e55 |
| Taxonomy | Phenylpropanoids and polyketides > Isoflavonoids > Isoflavans > Isoflavanones > 3-prenylated isoflavanones |
| IUPAC Name | (5aR,10bR)-1,3,8,10b-tetrahydroxy-10-methoxy-7-(3-methylbut-2-enyl)-5aH-[1]benzofuro[2,3-b]chromen-11-one |
| SMILES (Canonical) | CC(=CCC1=C2C(=C(C=C1O)OC)C3(C(O2)OC4=CC(=CC(=C4C3=O)O)O)O)C |
| SMILES (Isomeric) | CC(=CCC1=C2C(=C(C=C1O)OC)[C@]3([C@@H](O2)OC4=CC(=CC(=C4C3=O)O)O)O)C |
| InChI | InChI=1S/C21H20O8/c1-9(2)4-5-11-12(23)8-15(27-3)17-18(11)29-20-21(17,26)19(25)16-13(24)6-10(22)7-14(16)28-20/h4,6-8,20,22-24,26H,5H2,1-3H3/t20-,21+/m1/s1 |
| InChI Key | GMSPASDRJQTQSE-RTWAWAEBSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H20O8 |
| Molecular Weight | 400.40 g/mol |
| Exact Mass | 400.11581759 g/mol |
| Topological Polar Surface Area (TPSA) | 126.00 Ų |
| XlogP | 3.60 |
| There are no found synonyms. |
![2D Structure of (5aR,10bR)-1,3,8,10b-tetrahydroxy-10-methoxy-7-(3-methylbut-2-enyl)-5aH-[1]benzofuro[2,3-b]chromen-11-one](https://plantaedb.com/storage/docs/compounds/2023/11/c3f50b50-869c-11ee-bb5f-b38c547e41b3.jpg "2D Structure of (5aR,10bR)-1,3,8,10b-tetrahydroxy-10-methoxy-7-(3-methylbut-2-enyl)-5aH-[1]benzofuro[2,3-b]chromen-11-one")
| 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 | 99.13% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 97.69% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.10% | 96.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.41% | 86.33% |
| CHEMBL1929 | P47989 | Xanthine dehydrogenase | 91.24% | 96.12% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 89.76% | 83.82% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 89.25% | 94.73% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 88.15% | 99.23% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.86% | 89.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 85.24% | 98.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 84.79% | 99.17% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 83.90% | 91.07% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 83.82% | 95.56% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 83.79% | 82.38% |
| CHEMBL3194 | P02766 | Transthyretin | 82.73% | 90.71% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 82.57% | 94.75% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.46% | 95.89% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 81.94% | 97.09% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 81.72% | 90.00% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 81.44% | 92.62% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 80.67% | 92.94% |
| CHEMBL2535 | P11166 | Glucose transporter | 80.61% | 98.75% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 80.51% | 99.15% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 80.41% | 93.40% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 80.40% | 96.95% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 80.40% | 94.00% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 80.29% | 91.19% |
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.
| Piscidia piscipula |
| PubChem | 101608756 |
| LOTUS | LTS0220670 |
| wikiData | Q105012141 |