4-Hydroxy-11,11-dimethyl-16-oxatetracyclo[6.6.2.01,10.02,7]hexadeca-2(7),3,5-triene-5-carbaldehyde
| Internal ID | 012c2b47-9a7e-4d9d-8460-d524bb4cf6a7 |
| Taxonomy | Benzenoids > Phenanthrenes and derivatives |
| IUPAC Name | 4-hydroxy-11,11-dimethyl-16-oxatetracyclo[6.6.2.01,10.02,7]hexadeca-2(7),3,5-triene-5-carbaldehyde |
| SMILES (Canonical) | CC1(CCCC23C1CC(C4=C2C=C(C(=C4)C=O)O)OC3)C |
| SMILES (Isomeric) | CC1(CCCC23C1CC(C4=C2C=C(C(=C4)C=O)O)OC3)C |
| InChI | InChI=1S/C18H22O3/c1-17(2)4-3-5-18-10-21-15(8-16(17)18)12-6-11(9-19)14(20)7-13(12)18/h6-7,9,15-16,20H,3-5,8,10H2,1-2H3 |
| InChI Key | KFHYJDBDWSUZHB-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C18H22O3 |
| Molecular Weight | 286.40 g/mol |
| Exact Mass | 286.15689456 g/mol |
| Topological Polar Surface Area (TPSA) | 46.50 Ų |
| XlogP | 3.90 |
| There are no found synonyms. |
![2D Structure of 4-Hydroxy-11,11-dimethyl-16-oxatetracyclo[6.6.2.01,10.02,7]hexadeca-2(7),3,5-triene-5-carbaldehyde](https://plantaedb.com/storage/docs/compounds/2023/11/4-hydroxy-1111-dimethyl-16-oxatetracyclo6620110027hexadeca-2735-triene-5-carbaldehyde.jpg "2D Structure of 4-Hydroxy-11,11-dimethyl-16-oxatetracyclo[6.6.2.01,10.02,7]hexadeca-2(7),3,5-triene-5-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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.63% | 91.11% |
| CHEMBL1163101 | O75460 | Serine/threonine-protein kinase/endoribonuclease IRE1 | 97.05% | 98.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 96.46% | 95.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.82% | 94.45% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 92.29% | 92.94% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 88.60% | 96.09% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 87.34% | 100.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 87.30% | 98.95% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 87.18% | 91.49% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 87.15% | 93.40% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.01% | 86.33% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 84.85% | 90.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 84.80% | 90.71% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.32% | 89.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.91% | 97.09% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 83.29% | 91.07% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 82.23% | 94.75% |
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.
| Salvia przewalskii |
| PubChem | 162913606 |
| LOTUS | LTS0144807 |
| wikiData | Q105140384 |