17,17-Dimethyl-5-(3-methylbut-2-enyl)-3,12,16-trioxapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),4(9),5,7,14,18,20-heptaen-6-ol
| Internal ID | 8685524d-9542-42b2-9291-02ca224d665e |
| Taxonomy | Phenylpropanoids and polyketides > Isoflavonoids > Furanoisoflavonoids > Pterocarpans |
| IUPAC Name | 17,17-dimethyl-5-(3-methylbut-2-enyl)-3,12,16-trioxapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),4(9),5,7,14,18,20-heptaen-6-ol |
| SMILES (Canonical) | CC(=CCC1=C(C=CC2=C1OC3C2COC4=C3C=C5C=CC(OC5=C4)(C)C)O)C |
| SMILES (Isomeric) | CC(=CCC1=C(C=CC2=C1OC3C2COC4=C3C=C5C=CC(OC5=C4)(C)C)O)C |
| InChI | InChI=1S/C25H26O4/c1-14(2)5-6-17-20(26)8-7-16-19-13-27-22-12-21-15(9-10-25(3,4)29-21)11-18(22)24(19)28-23(16)17/h5,7-12,19,24,26H,6,13H2,1-4H3 |
| InChI Key | XDCWGMPAZYVPRX-UHFFFAOYSA-N |
| Popularity | 0 references 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 |
| There are no found synonyms. |
![2D Structure of 17,17-Dimethyl-5-(3-methylbut-2-enyl)-3,12,16-trioxapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),4(9),5,7,14,18,20-heptaen-6-ol](https://plantaedb.com/storage/docs/compounds/2023/11/daa8bc20-83b2-11ee-9509-63c50a4240cf.jpg "2D Structure of 17,17-Dimethyl-5-(3-methylbut-2-enyl)-3,12,16-trioxapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),4(9),5,7,14,18,20-heptaen-6-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 | 99.60% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.65% | 94.45% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 94.95% | 91.49% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 92.35% | 95.93% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.04% | 98.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.14% | 86.33% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.74% | 96.09% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 90.00% | 100.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.85% | 89.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 88.71% | 85.14% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 88.68% | 94.73% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 88.54% | 93.40% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.44% | 97.09% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 85.82% | 90.17% |
| CHEMBL233 | P35372 | Mu opioid receptor | 83.94% | 97.93% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.41% | 95.89% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 81.45% | 95.56% |
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 lysistemon |
| Erythrina poeppigiana |
| Erythrina variegata |
| PubChem | 15559469 |
| LOTUS | LTS0181384 |
| wikiData | Q105325638 |