4-Hydroxy-4,8,12-trimethyl-2-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8-tetraene-10,11-dione
| Internal ID | edd947a0-2bd0-4a0a-91e9-dd4919887363 |
| Taxonomy | Benzenoids > Naphthalenes > Naphthoquinones |
| IUPAC Name | 4-hydroxy-4,8,12-trimethyl-2-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8-tetraene-10,11-dione |
| SMILES (Canonical) | CC1=C2C3=C(C=C1)C(COC3=C(C(=O)C2=O)C)(C)O |
| SMILES (Isomeric) | CC1=C2C3=C(C=C1)C(COC3=C(C(=O)C2=O)C)(C)O |
| InChI | InChI=1S/C15H14O4/c1-7-4-5-9-11-10(7)13(17)12(16)8(2)14(11)19-6-15(9,3)18/h4-5,18H,6H2,1-3H3 |
| InChI Key | HUXMQAHWPMWHPJ-UHFFFAOYSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C15H14O4 |
| Molecular Weight | 258.27 g/mol |
| Exact Mass | 258.08920892 g/mol |
| Topological Polar Surface Area (TPSA) | 63.60 Ų |
| XlogP | 1.00 |
| SCHEMBL7756161 |
![2D Structure of 4-Hydroxy-4,8,12-trimethyl-2-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8-tetraene-10,11-dione](https://plantaedb.com/storage/docs/compounds/2023/11/4-hydroxy-4812-trimethyl-2-oxatricyclo7310513trideca-11251368-tetraene-1011-dione.jpg "2D Structure of 4-Hydroxy-4,8,12-trimethyl-2-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8-tetraene-10,11-dione")
| 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 |
|---|---|---|---|---|
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 97.34% | 95.56% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.50% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.08% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.39% | 94.45% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 85.09% | 90.24% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.77% | 86.33% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.01% | 99.23% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 80.51% | 96.67% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.39% | 100.00% |
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.
| Ulmus davidiana |
| PubChem | 44393718 |
| LOTUS | LTS0038166 |
| wikiData | Q105034108 |