Erybraedin D
| Internal ID | ceaf4d2d-64ea-4416-84b4-28228fa94329 |
| Taxonomy | Phenylpropanoids and polyketides > Isoflavonoids > Furanoisoflavonoids > Pterocarpans |
| IUPAC Name | 7,7-dimethyl-18-(3-methylbut-2-enyl)-8,12,20-trioxapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-2(11),3,5,9,14(19),15,17-heptaen-17-ol |
| SMILES (Canonical) | CC(=CCC1=C(C=CC2=C1OCC3C2OC4=C3C=C5C=CC(OC5=C4)(C)C)O)C |
| SMILES (Isomeric) | CC(=CCC1=C(C=CC2=C1OCC3C2OC4=C3C=C5C=CC(OC5=C4)(C)C)O)C |
| InChI | InChI=1S/C25H26O4/c1-14(2)5-6-16-20(26)8-7-17-23(16)27-13-19-18-11-15-9-10-25(3,4)29-21(15)12-22(18)28-24(17)19/h5,7-12,19,24,26H,6,13H2,1-4H3 |
| InChI Key | ZWEQONVPSDWALR-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C25H26O4 |
| Molecular Weight | 390.50 g/mol |
| Exact Mass | 390.18310931 g/mol |
| Topological Polar Surface Area (TPSA) | 47.90 Ų |
| XlogP | 5.50 |
| 119269-72-6 |
| 6H,10H-Furo(3,2-c:4,5-g')bis(1)benzopyran-3-ol, 6a,13a-dihydro-10,10-dimethyl-4-(3-methyl-2-butenyl)- |
| (6aR,11aR)-3-Hydroxy-4-prenyl-6'',6''-dimethylpyrano[2'',3'':9,8]pterocarpan |
| 6H,10H-Furo[3,2-c:4,5-g']bis[1]benzopyran-3-ol, 6a,13a-dihydro-10,10-dimethyl-4-(3-methyl-2-butenyl)- |
| DTXSID60922911 |
| C25H26O4 |
| LMPK12070026 |
| 10,10-Dimethyl-4-(3-methylbut-2-en-1-yl)-6a,13a-dihydro-6H,10H-pyrano[3',2':5,6][1]benzofuro[3,2-c][1]benzopyran-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 | 99.62% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.45% | 94.45% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 93.62% | 95.93% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 93.06% | 93.40% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.76% | 98.95% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 91.12% | 85.14% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.07% | 86.33% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 90.31% | 91.49% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.85% | 89.00% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 89.46% | 100.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.26% | 97.09% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 88.84% | 96.09% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 88.59% | 90.17% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 88.45% | 94.73% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 81.21% | 90.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 80.93% | 95.56% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 80.79% | 96.95% |
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.
| Bituminaria morisiana |
| Erythrina abyssinica |
| Erythrina mildbraedii |
| Erythrina sigmoidea |
| PubChem | 471689 |
| LOTUS | LTS0124544 |
| wikiData | Q82896688 |