8-(3,7-dimethylocta-2,6-dienyl)-9-methoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromen-3-ol
| Internal ID | 4734865e-d35e-4912-b4e3-a865f4895e2e |
| Taxonomy | Phenylpropanoids and polyketides > Isoflavonoids > Furanoisoflavonoids > Pterocarpans |
| IUPAC Name | 8-(3,7-dimethylocta-2,6-dienyl)-9-methoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromen-3-ol |
| SMILES (Canonical) | CC(=CCCC(=CCC1=CC2=C(C=C1OC)OC3C2COC4=C3C=CC(=C4)O)C)C |
| SMILES (Isomeric) | CC(=CCCC(=CCC1=CC2=C(C=C1OC)OC3C2COC4=C3C=CC(=C4)O)C)C |
| InChI | InChI=1S/C26H30O4/c1-16(2)6-5-7-17(3)8-9-18-12-21-22-15-29-24-13-19(27)10-11-20(24)26(22)30-25(21)14-23(18)28-4/h6,8,10-14,22,26-27H,5,7,9,15H2,1-4H3 |
| InChI Key | RQUGKUQXWLYLSN-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C26H30O4 |
| Molecular Weight | 406.50 g/mol |
| Exact Mass | 406.21440943 g/mol |
| Topological Polar Surface Area (TPSA) | 47.90 Ų |
| XlogP | 6.40 |
| There are no found synonyms. |
![2D Structure of 8-(3,7-dimethylocta-2,6-dienyl)-9-methoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromen-3-ol](https://plantaedb.com/storage/docs/compounds/2023/11/8-37-dimethylocta-26-dienyl-9-methoxy-6a11a-dihydro-6h-1benzofuro32-cchromen-3-ol.jpg "2D Structure of 8-(3,7-dimethylocta-2,6-dienyl)-9-methoxy-6a,11a-dihydro-6H-[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 | 98.98% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.57% | 96.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.99% | 86.33% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 93.14% | 99.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.93% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.71% | 94.45% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 91.82% | 92.08% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 91.08% | 83.82% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.02% | 97.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 90.49% | 85.14% |
| CHEMBL2535 | P11166 | Glucose transporter | 88.91% | 98.75% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.11% | 95.56% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 87.80% | 89.62% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 87.73% | 95.89% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 87.36% | 93.10% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 87.17% | 94.73% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.96% | 95.89% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.50% | 100.00% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 81.86% | 92.62% |
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.
| Sophora prostrata |
| PubChem | 162955363 |
| LOTUS | LTS0188292 |
| wikiData | Q105243665 |