(5aR,10bR)-1,3,8,10b-tetrahydroxy-2,7-bis(3-methylbut-2-enyl)-5aH-[1]benzofuro[2,3-b]chromen-11-one
| Internal ID | 33064da6-1996-4a0b-b016-4c6f1550d887 |
| Taxonomy | Phenylpropanoids and polyketides > Isoflavonoids > Isoflavans > Isoflavanones > 3-prenylated isoflavanones |
| IUPAC Name | (5aR,10bR)-1,3,8,10b-tetrahydroxy-2,7-bis(3-methylbut-2-enyl)-5aH-[1]benzofuro[2,3-b]chromen-11-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C25H26O7/c1-12(2)5-7-14-18(27)11-19-20(21(14)28)23(29)25(30)16-9-10-17(26)15(8-6-13(3)4)22(16)32-24(25)31-19/h5-6,9-11,24,26-28,30H,7-8H2,1-4H3/t24-,25+/m1/s1 |
| InChI Key | PZMHPFDAYXPEDT-RPBOFIJWSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C25H26O7 |
| Molecular Weight | 438.50 g/mol |
| Exact Mass | 438.16785316 g/mol |
| Topological Polar Surface Area (TPSA) | 116.00 Ų |
| XlogP | 5.60 |
| There are no found synonyms. |
![2D Structure of (5aR,10bR)-1,3,8,10b-tetrahydroxy-2,7-bis(3-methylbut-2-enyl)-5aH-[1]benzofuro[2,3-b]chromen-11-one](https://plantaedb.com/storage/docs/compounds/2023/11/5ar10br-13810b-tetrahydroxy-27-bis3-methylbut-2-enyl-5ah-1benzofuro23-bchromen-11-one.jpg "2D Structure of (5aR,10bR)-1,3,8,10b-tetrahydroxy-2,7-bis(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 | 99.69% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 97.59% | 94.45% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 96.25% | 91.49% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 91.63% | 94.73% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.15% | 98.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.11% | 86.33% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 90.04% | 93.40% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.52% | 89.00% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 86.43% | 99.15% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 85.31% | 85.14% |
| CHEMBL3038469 | P24941 | CDK2/Cyclin A | 85.03% | 91.38% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.60% | 99.23% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.20% | 100.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 82.93% | 90.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 82.09% | 95.56% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 82.04% | 94.80% |
| CHEMBL3830 | Q2M2I8 | Adaptor-associated kinase | 82.02% | 83.10% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.12% | 95.89% |
| CHEMBL2964 | P36507 | Dual specificity mitogen-activated protein kinase kinase 2 | 80.32% | 80.00% |
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.
| Lupinus albus |
| PubChem | 101608758 |
| LOTUS | LTS0080048 |
| wikiData | Q105217028 |