6a,9-Dimethoxy-10-(3-methylbut-2-enyl)-6,11a-dihydro-[1]benzofuro[3,2-c]chromen-3-ol
| Internal ID | 96d90eb8-b96a-4812-a274-128e78354da3 |
| Taxonomy | Phenylpropanoids and polyketides > Isoflavonoids > Furanoisoflavonoids > Pterocarpans |
| IUPAC Name | 6a,9-dimethoxy-10-(3-methylbut-2-enyl)-6,11a-dihydro-[1]benzofuro[3,2-c]chromen-3-ol |
| SMILES (Canonical) | CC(=CCC1=C(C=CC2=C1OC3C2(COC4=C3C=CC(=C4)O)OC)OC)C |
| SMILES (Isomeric) | CC(=CCC1=C(C=CC2=C1OC3C2(COC4=C3C=CC(=C4)O)OC)OC)C |
| InChI | InChI=1S/C22H24O5/c1-13(2)5-7-15-18(24-3)10-9-17-20(15)27-21-16-8-6-14(23)11-19(16)26-12-22(17,21)25-4/h5-6,8-11,21,23H,7,12H2,1-4H3 |
| InChI Key | IGSYALWDCAHJEF-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C22H24O5 |
| Molecular Weight | 368.40 g/mol |
| Exact Mass | 368.16237386 g/mol |
| Topological Polar Surface Area (TPSA) | 57.20 Ų |
| XlogP | 4.00 |
| There are no found synonyms. |
![2D Structure of 6a,9-Dimethoxy-10-(3-methylbut-2-enyl)-6,11a-dihydro-[1]benzofuro[3,2-c]chromen-3-ol](https://plantaedb.com/storage/docs/compounds/2023/11/6a9-dimethoxy-10-3-methylbut-2-enyl-611a-dihydro-1benzofuro32-cchromen-3-ol.jpg "2D Structure of 6a,9-Dimethoxy-10-(3-methylbut-2-enyl)-6,11a-dihydro-[1]benzofuro[3,2-c]chromen-3-ol")
| 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 | 98.49% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 98.14% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.36% | 96.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 95.94% | 86.33% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 93.98% | 97.09% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 92.41% | 83.82% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 92.12% | 95.89% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 89.17% | 89.62% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 89.10% | 85.14% |
| CHEMBL240 | Q12809 | HERG | 87.77% | 89.76% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 87.24% | 100.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 86.57% | 99.17% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.11% | 95.56% |
| CHEMBL2535 | P11166 | Glucose transporter | 84.49% | 98.75% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 84.27% | 89.50% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 83.58% | 95.89% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 82.44% | 92.62% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 82.31% | 96.00% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 81.99% | 95.17% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.08% | 89.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 81.04% | 98.95% |
| CHEMBL236 | P41143 | Delta opioid receptor | 80.81% | 99.35% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 80.46% | 94.73% |
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 abyssinica |
| Erythrina fusca |
| PubChem | 75223801 |
| LOTUS | LTS0237436 |
| wikiData | Q105112801 |