6,19,19-Trimethyl-3,12,20-trioxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),4(9),5,7,14,16(21)-hexaen-15-ol
| Internal ID | 579d3aff-6db2-498b-9f2e-5059806c59dc |
| Taxonomy | Phenylpropanoids and polyketides > Isoflavonoids > Furanoisoflavonoids > Pterocarpans |
| IUPAC Name | 6,19,19-trimethyl-3,12,20-trioxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),4(9),5,7,14,16(21)-hexaen-15-ol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C21H22O4/c1-11-4-5-12-14-10-23-17-9-15(22)13-6-7-21(2,3)25-20(13)18(17)19(14)24-16(12)8-11/h4-5,8-9,14,19,22H,6-7,10H2,1-3H3 |
| InChI Key | CHEXKSCDZLHRCE-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C21H22O4 |
| Molecular Weight | 338.40 g/mol |
| Exact Mass | 338.15180918 g/mol |
| Topological Polar Surface Area (TPSA) | 47.90 Ų |
| XlogP | 4.00 |
| There are no found synonyms. |
![2D Structure of 6,19,19-Trimethyl-3,12,20-trioxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),4(9),5,7,14,16(21)-hexaen-15-ol](https://plantaedb.com/storage/docs/compounds/2023/11/3e2c8cc0-838a-11ee-81a6-8d8a88fcca6f.jpg "2D Structure of 6,19,19-Trimethyl-3,12,20-trioxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),4(9),5,7,14,16(21)-hexaen-15-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 | 98.43% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.00% | 96.09% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 93.98% | 93.40% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.06% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.30% | 98.95% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 90.68% | 93.99% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.59% | 89.00% |
| CHEMBL3227 | P41594 | Metabotropic glutamate receptor 5 | 87.71% | 96.42% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.66% | 100.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 86.15% | 94.45% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 84.99% | 93.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.27% | 97.09% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 81.79% | 99.23% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 81.26% | 100.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 81.19% | 86.33% |
| CHEMBL4581 | P52732 | Kinesin-like protein 1 | 80.04% | 93.18% |
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.
| Bolusanthus speciosus |
| PubChem | 163187690 |
| LOTUS | LTS0022712 |
| wikiData | Q104958710 |