(6aS,11aS)-1-methoxy-2,10-bis(3-methylbut-2-enyl)-6,11a-dihydro-[1]benzofuro[3,2-c]chromene-3,6a,9-triol
| Internal ID | aaf89887-6f91-4c6b-98e6-37731c3c4b89 |
| Taxonomy | Phenylpropanoids and polyketides > Isoflavonoids > Furanoisoflavonoids > Pterocarpans |
| IUPAC Name | (6aS,11aS)-1-methoxy-2,10-bis(3-methylbut-2-enyl)-6,11a-dihydro-[1]benzofuro[3,2-c]chromene-3,6a,9-triol |
| SMILES (Canonical) | CC(=CCC1=C(C=CC2=C1OC3C2(COC4=C3C(=C(C(=C4)O)CC=C(C)C)OC)O)O)C |
| SMILES (Isomeric) | CC(=CCC1=C(C=CC2=C1O[C@@H]3[C@]2(COC4=C3C(=C(C(=C4)O)CC=C(C)C)OC)O)O)C |
| InChI | InChI=1S/C26H30O6/c1-14(2)6-8-16-19(27)11-10-18-23(16)32-25-22-21(31-13-26(18,25)29)12-20(28)17(24(22)30-5)9-7-15(3)4/h6-7,10-12,25,27-29H,8-9,13H2,1-5H3/t25-,26+/m0/s1 |
| InChI Key | CWICYIUDNVORTC-IZZNHLLZSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C26H30O6 |
| Molecular Weight | 438.50 g/mol |
| Exact Mass | 438.20423867 g/mol |
| Topological Polar Surface Area (TPSA) | 88.40 Ų |
| XlogP | 5.00 |
| There are no found synonyms. |
![2D Structure of (6aS,11aS)-1-methoxy-2,10-bis(3-methylbut-2-enyl)-6,11a-dihydro-[1]benzofuro[3,2-c]chromene-3,6a,9-triol](https://plantaedb.com/storage/docs/compounds/2023/11/0675e3f0-8552-11ee-98ef-d32d255372a3.jpg "2D Structure of (6aS,11aS)-1-methoxy-2,10-bis(3-methylbut-2-enyl)-6,11a-dihydro-[1]benzofuro[3,2-c]chromene-3,6a,9-triol")
| 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 | 99.79% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 98.42% | 94.45% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 91.94% | 93.40% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.03% | 86.33% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 89.65% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.78% | 97.09% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 85.99% | 91.49% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.94% | 95.89% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 85.80% | 92.62% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 85.66% | 100.00% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 85.47% | 99.15% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 83.34% | 85.14% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 83.00% | 92.94% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 82.99% | 95.56% |
| CHEMBL2535 | P11166 | Glucose transporter | 82.25% | 98.75% |
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 crista-galli |
| PubChem | 101707503 |
| LOTUS | LTS0038134 |
| wikiData | Q104971290 |