1-Methoxyerythrabyssin Ii
| Internal ID | 28d45db0-ded4-439d-bd45-c8fbbaf735bf |
| Taxonomy | Phenylpropanoids and polyketides > Isoflavonoids > Furanoisoflavonoids > Pterocarpans |
| IUPAC Name | (6aR,11aR)-1-methoxy-2,10-bis(3-methylbut-2-enyl)-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene-3,9-diol |
| SMILES (Canonical) | CC(=CCC1=C(C=CC2=C1OC3C2COC4=C3C(=C(C(=C4)O)CC=C(C)C)OC)O)C |
| SMILES (Isomeric) | CC(=CCC1=C(C=CC2=C1O[C@@H]3[C@H]2COC4=C3C(=C(C(=C4)O)CC=C(C)C)OC)O)C |
| InChI | InChI=1S/C26H30O5/c1-14(2)6-8-17-20(27)11-10-16-19-13-30-22-12-21(28)18(9-7-15(3)4)25(29-5)23(22)26(19)31-24(16)17/h6-7,10-12,19,26-28H,8-9,13H2,1-5H3/t19-,26+/m0/s1 |
| InChI Key | SHSISVOIQZYVQR-AFMDSPMNSA-N |
| Popularity | 4 references in papers |
| Molecular Formula | C26H30O5 |
| Molecular Weight | 422.50 g/mol |
| Exact Mass | 422.20932405 g/mol |
| Topological Polar Surface Area (TPSA) | 68.20 Ų |
| XlogP | 6.10 |
| CHEMBL401566 |
| BDBM50355214 |
| (6aR,11aR)-1-methoxy-2,10-bis(3-methylbut-2-enyl)-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene-3,9-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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.54% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.01% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 89.36% | 96.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.33% | 86.33% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 88.98% | 94.73% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.92% | 97.09% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 86.85% | 91.49% |
| CHEMBL2581 | P07339 | Cathepsin D | 86.82% | 98.95% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 86.16% | 85.14% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 85.55% | 99.15% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.28% | 95.56% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 85.09% | 99.17% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 83.76% | 92.62% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 83.15% | 93.99% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.89% | 95.89% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.58% | 100.00% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 81.17% | 95.93% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 80.98% | 93.40% |
| CHEMBL2535 | P11166 | Glucose transporter | 80.87% | 98.75% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.38% | 89.00% |
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 subumbrans |
| Glycyrrhiza uralensis |
| Lespedeza bicolor |
| Lespedeza bicolor |
| Mitracarpus hirtus |
| PubChem | 24761044 |
| NPASS | NPC196765 |
| ChEMBL | CHEMBL401566 |
| LOTUS | LTS0214973 |
| wikiData | Q105253173 |