1,3-dimethoxy-2-(3-methylbut-2-enyl)-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromen-9-ol
| Internal ID | fef15d1c-b4b4-48b6-835e-e52ec606d0df |
| Taxonomy | Phenylpropanoids and polyketides > Isoflavonoids > Furanoisoflavonoids > Pterocarpans |
| IUPAC Name | 1,3-dimethoxy-2-(3-methylbut-2-enyl)-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromen-9-ol |
| SMILES (Canonical) | CC(=CCC1=C(C=C2C(=C1OC)C3C(CO2)C4=C(O3)C=C(C=C4)O)OC)C |
| SMILES (Isomeric) | CC(=CCC1=C(C=C2C(=C1OC)C3C(CO2)C4=C(O3)C=C(C=C4)O)OC)C |
| InChI | InChI=1S/C22H24O5/c1-12(2)5-7-15-17(24-3)10-19-20(21(15)25-4)22-16(11-26-19)14-8-6-13(23)9-18(14)27-22/h5-6,8-10,16,22-23H,7,11H2,1-4H3 |
| InChI Key | ZCGOJWAIXQAUMW-UHFFFAOYSA-N |
| Popularity | 2 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 | 4.50 |
| There are no found synonyms. |
![2D Structure of 1,3-dimethoxy-2-(3-methylbut-2-enyl)-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromen-9-ol](https://plantaedb.com/storage/docs/compounds/2023/11/13-dimethoxy-2-3-methylbut-2-enyl-6a11a-dihydro-6h-1benzofuro32-cchromen-9-ol.jpg "2D Structure of 1,3-dimethoxy-2-(3-methylbut-2-enyl)-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromen-9-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 | 98.47% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.31% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.05% | 94.45% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.15% | 86.33% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 90.07% | 99.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.44% | 98.95% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.45% | 97.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.65% | 95.56% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 87.14% | 89.62% |
| CHEMBL2535 | P11166 | Glucose transporter | 86.92% | 98.75% |
| CHEMBL240 | Q12809 | HERG | 86.88% | 89.76% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 85.80% | 85.14% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 85.18% | 95.89% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 85.16% | 93.99% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.85% | 89.00% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 83.72% | 83.82% |
| CHEMBL2716 | Q8WUI4 | Histone deacetylase 7 | 83.39% | 89.44% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 82.13% | 92.62% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.10% | 100.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 81.08% | 94.73% |
| CHEMBL4306 | P22460 | Voltage-gated potassium channel subunit Kv1.5 | 81.01% | 94.03% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.97% | 95.89% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 80.59% | 89.50% |
| CHEMBL4355 | O14976 | Serine/threonine-protein kinase GAK | 80.15% | 89.32% |
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.
| Eupatorium luchuense |
| Glycyrrhiza uralensis |
| PubChem | 77916093 |
| LOTUS | LTS0080849 |
| wikiData | Q105217803 |