1,5-dihydroxy-8,8,11a-trimethyl-3-oxo-6,7,7a,9,10,11-hexahydro-1H-naphtho[1,2-e][2]benzofuran-4-carbaldehyde
| Internal ID | 8822bd4c-c5d3-4008-89b7-a05cb838a11e |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene lactones > Diterpene lactones |
| IUPAC Name | 1,5-dihydroxy-8,8,11a-trimethyl-3-oxo-6,7,7a,9,10,11-hexahydro-1H-naphtho[1,2-e][2]benzofuran-4-carbaldehyde |
| SMILES (Canonical) | CC1(CCCC2(C1CCC3=C2C4=C(C(=C3O)C=O)C(=O)OC4O)C)C |
| SMILES (Isomeric) | CC1(CCCC2(C1CCC3=C2C4=C(C(=C3O)C=O)C(=O)OC4O)C)C |
| InChI | InChI=1S/C20H24O5/c1-19(2)7-4-8-20(3)12(19)6-5-10-15(20)14-13(11(9-21)16(10)22)17(23)25-18(14)24/h9,12,18,22,24H,4-8H2,1-3H3 |
| InChI Key | QIHGRCOYZPDPMX-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H24O5 |
| Molecular Weight | 344.40 g/mol |
| Exact Mass | 344.16237386 g/mol |
| Topological Polar Surface Area (TPSA) | 83.80 Ų |
| XlogP | 4.50 |
| There are no found synonyms. |
![2D Structure of 1,5-dihydroxy-8,8,11a-trimethyl-3-oxo-6,7,7a,9,10,11-hexahydro-1H-naphtho[1,2-e][2]benzofuran-4-carbaldehyde](https://plantaedb.com/storage/docs/compounds/2023/11/cd2771a0-85e5-11ee-8273-373b0e52eb5d.jpg "2D Structure of 1,5-dihydroxy-8,8,11a-trimethyl-3-oxo-6,7,7a,9,10,11-hexahydro-1H-naphtho[1,2-e][2]benzofuran-4-carbaldehyde")
| 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 |
|---|---|---|---|---|
| CHEMBL1951 | P21397 | Monoamine oxidase A | 97.91% | 91.49% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 97.36% | 95.56% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.94% | 91.11% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 93.62% | 96.38% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.60% | 98.95% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 93.28% | 99.23% |
| CHEMBL1163101 | O75460 | Serine/threonine-protein kinase/endoribonuclease IRE1 | 92.40% | 98.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.38% | 94.45% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 90.84% | 100.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.26% | 89.00% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 87.72% | 93.40% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.87% | 95.89% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 85.14% | 91.19% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.98% | 97.09% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 84.07% | 93.03% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 84.06% | 94.75% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 82.96% | 99.18% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.56% | 86.33% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 82.13% | 97.05% |
| CHEMBL3004 | P33527 | Multidrug resistance-associated protein 1 | 80.94% | 96.37% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 80.65% | 95.38% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 80.28% | 97.25% |
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.
| Betonica officinalis |
| PubChem | 13969006 |
| LOTUS | LTS0020826 |
| wikiData | Q105221389 |