10-(2-Hydroxy-3-methylbut-3-enyl)-9-methoxy-6,11a-dihydro-[1]benzofuro[3,2-c]chromene-3,6a-diol
| Internal ID | 753242dc-4841-4bff-a0b3-7d13856a6382 |
| Taxonomy | Phenylpropanoids and polyketides > Isoflavonoids > Furanoisoflavonoids > Pterocarpans |
| IUPAC Name | 10-(2-hydroxy-3-methylbut-3-enyl)-9-methoxy-6,11a-dihydro-[1]benzofuro[3,2-c]chromene-3,6a-diol |
| SMILES (Canonical) | CC(=C)C(CC1=C(C=CC2=C1OC3C2(COC4=C3C=CC(=C4)O)O)OC)O |
| SMILES (Isomeric) | CC(=C)C(CC1=C(C=CC2=C1OC3C2(COC4=C3C=CC(=C4)O)O)OC)O |
| InChI | InChI=1S/C21H22O6/c1-11(2)16(23)9-14-17(25-3)7-6-15-19(14)27-20-13-5-4-12(22)8-18(13)26-10-21(15,20)24/h4-8,16,20,22-24H,1,9-10H2,2-3H3 |
| InChI Key | BCIKDANYBDJAHY-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H22O6 |
| Molecular Weight | 370.40 g/mol |
| Exact Mass | 370.14163842 g/mol |
| Topological Polar Surface Area (TPSA) | 88.40 Ų |
| XlogP | 2.40 |
| There are no found synonyms. |
![2D Structure of 10-(2-Hydroxy-3-methylbut-3-enyl)-9-methoxy-6,11a-dihydro-[1]benzofuro[3,2-c]chromene-3,6a-diol](https://plantaedb.com/storage/docs/compounds/2023/11/10-2-hydroxy-3-methylbut-3-enyl-9-methoxy-611a-dihydro-1benzofuro32-cchromene-36a-diol.jpg "2D Structure of 10-(2-Hydroxy-3-methylbut-3-enyl)-9-methoxy-6,11a-dihydro-[1]benzofuro[3,2-c]chromene-3,6a-diol")
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.92% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 97.58% | 85.14% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 97.51% | 94.45% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 97.45% | 83.82% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.16% | 91.11% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 94.69% | 86.33% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.80% | 98.95% |
| CHEMBL2535 | P11166 | Glucose transporter | 92.19% | 98.75% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 91.07% | 95.89% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 90.20% | 95.89% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.89% | 97.09% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 87.77% | 94.00% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 86.39% | 95.17% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 84.81% | 92.62% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 83.59% | 89.05% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 83.15% | 90.20% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 83.08% | 95.56% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 83.06% | 89.62% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.44% | 100.00% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 81.41% | 89.50% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 80.97% | 99.17% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 80.02% | 100.00% |
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.
| Erythrina fusca |
| PubChem | 162950162 |
| LOTUS | LTS0119498 |
| wikiData | Q104923318 |