10-Hydroxy-12,12-dimethyl-6-methylidene-14-oxapentacyclo[11.2.2.15,8.01,11.02,8]octadec-10-ene-7,9,16-trione
| Internal ID | 2208a4dd-2a34-4788-9fb2-4cc3f741d371 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Kaurane diterpenoids |
| IUPAC Name | 10-hydroxy-12,12-dimethyl-6-methylidene-14-oxapentacyclo[11.2.2.15,8.01,11.02,8]octadec-10-ene-7,9,16-trione |
| SMILES (Canonical) | CC1(C2CC(=O)C3(C1=C(C(=O)C45C3CCC(C4)C(=C)C5=O)O)CO2)C |
| SMILES (Isomeric) | CC1(C2CC(=O)C3(C1=C(C(=O)C45C3CCC(C4)C(=C)C5=O)O)CO2)C |
| InChI | InChI=1S/C20H22O5/c1-9-10-4-5-11-19(7-10,16(9)23)17(24)14(22)15-18(2,3)13-6-12(21)20(11,15)8-25-13/h10-11,13,22H,1,4-8H2,2-3H3 |
| InChI Key | PTXBJCCXMBZGPW-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H22O5 |
| Molecular Weight | 342.40 g/mol |
| Exact Mass | 342.14672380 g/mol |
| Topological Polar Surface Area (TPSA) | 80.70 Ų |
| XlogP | 1.60 |
| There are no found synonyms. |
![2D Structure of 10-Hydroxy-12,12-dimethyl-6-methylidene-14-oxapentacyclo[11.2.2.15,8.01,11.02,8]octadec-10-ene-7,9,16-trione](https://plantaedb.com/storage/docs/compounds/2023/11/e495e460-8597-11ee-9dcb-ed0092ab98af.jpg "2D Structure of 10-Hydroxy-12,12-dimethyl-6-methylidene-14-oxapentacyclo[11.2.2.15,8.01,11.02,8]octadec-10-ene-7,9,16-trione")
| 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 |
|---|---|---|---|---|
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.75% | 97.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.70% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.67% | 98.95% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 91.30% | 99.23% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.13% | 94.45% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 89.43% | 94.75% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 87.82% | 92.94% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 86.61% | 96.21% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 86.14% | 85.14% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.78% | 95.56% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 84.81% | 85.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 84.46% | 96.09% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 84.37% | 94.00% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 81.75% | 95.38% |
| CHEMBL1907601 | P11802 | Cyclin-dependent kinase 4/cyclin D1 | 80.70% | 98.99% |
| CHEMBL3012 | Q13946 | Phosphodiesterase 7A | 80.21% | 99.29% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 80.10% | 92.50% |
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.
| Isodon eriocalyx |
| PubChem | 73657272 |
| LOTUS | LTS0177841 |
| wikiData | Q105214947 |