5-(3-Methylbut-2-enyl)-3,12,17-trioxapentacyclo[11.7.0.02,10.04,9.014,18]icosa-1(13),4(9),5,7,14(18),15,19-heptaen-6-ol
| Internal ID | 379a4b4f-eb56-4e3f-9754-d2e5a0d3428f |
| Taxonomy | Phenylpropanoids and polyketides > Isoflavonoids > Furanoisoflavonoids > Pterocarpans |
| IUPAC Name | 5-(3-methylbut-2-enyl)-3,12,17-trioxapentacyclo[11.7.0.02,10.04,9.014,18]icosa-1(13),4(9),5,7,14(18),15,19-heptaen-6-ol |
| SMILES (Canonical) | CC(=CCC1=C(C=CC2=C1OC3C2COC4=C3C=CC5=C4C=CO5)O)C |
| SMILES (Isomeric) | CC(=CCC1=C(C=CC2=C1OC3C2COC4=C3C=CC5=C4C=CO5)O)C |
| InChI | InChI=1S/C22H20O4/c1-12(2)3-4-14-18(23)7-5-13-17-11-25-20-15-9-10-24-19(15)8-6-16(20)22(17)26-21(13)14/h3,5-10,17,22-23H,4,11H2,1-2H3 |
| InChI Key | AMXZYAGFDBRVKA-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C22H20O4 |
| Molecular Weight | 348.40 g/mol |
| Exact Mass | 348.13615911 g/mol |
| Topological Polar Surface Area (TPSA) | 51.80 Ų |
| XlogP | 5.00 |
| There are no found synonyms. |
![2D Structure of 5-(3-Methylbut-2-enyl)-3,12,17-trioxapentacyclo[11.7.0.02,10.04,9.014,18]icosa-1(13),4(9),5,7,14(18),15,19-heptaen-6-ol](https://plantaedb.com/storage/docs/compounds/2023/11/b27ae030-8604-11ee-b25b-59486475bd52.jpg "2D Structure of 5-(3-Methylbut-2-enyl)-3,12,17-trioxapentacyclo[11.7.0.02,10.04,9.014,18]icosa-1(13),4(9),5,7,14(18),15,19-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 | 99.37% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 99.00% | 91.49% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.26% | 98.95% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 88.87% | 94.73% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.68% | 94.45% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.36% | 95.56% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.28% | 89.00% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 87.26% | 89.62% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 87.18% | 95.93% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 86.22% | 85.14% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.20% | 97.09% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 86.12% | 99.23% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.40% | 100.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.27% | 95.89% |
| CHEMBL4306 | P22460 | Voltage-gated potassium channel subunit Kv1.5 | 83.03% | 94.03% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 80.44% | 93.56% |
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.
| Asphodeline damascena |
| Erythrina lysistemon |
| Smyrnium olusatrum |
| PubChem | 75080361 |
| LOTUS | LTS0188986 |
| wikiData | Q105213547 |