(2,8-Dihydroxy-5,5,9-trimethyl-14-methylidene-10,15-dioxo-6-tricyclo[11.2.1.04,9]hexadec-1(16)-enyl) acetate
| Internal ID | a4a3685e-5342-42cf-8858-89e61982c308 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Alcohols and polyols > Cyclic alcohols and derivatives |
| IUPAC Name | (2,8-dihydroxy-5,5,9-trimethyl-14-methylidene-10,15-dioxo-6-tricyclo[11.2.1.04,9]hexadec-1(16)-enyl) acetate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C22H30O6/c1-11-13-6-7-17(25)22(5)16(9-15(24)14(8-13)20(11)27)21(3,4)19(10-18(22)26)28-12(2)23/h8,13,15-16,18-19,24,26H,1,6-7,9-10H2,2-5H3 |
| InChI Key | SQKIJEMRJCDDMH-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C22H30O6 |
| Molecular Weight | 390.50 g/mol |
| Exact Mass | 390.20423867 g/mol |
| Topological Polar Surface Area (TPSA) | 101.00 Ų |
| XlogP | 1.60 |
| There are no found synonyms. |
![2D Structure of (2,8-Dihydroxy-5,5,9-trimethyl-14-methylidene-10,15-dioxo-6-tricyclo[11.2.1.04,9]hexadec-1(16)-enyl) acetate](https://plantaedb.com/storage/docs/compounds/2023/11/a2c514b0-861f-11ee-a431-c5d4f36392d2.jpg "2D Structure of (2,8-Dihydroxy-5,5,9-trimethyl-14-methylidene-10,15-dioxo-6-tricyclo[11.2.1.04,9]hexadec-1(16)-enyl) acetate")
| 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 | 93.01% | 91.11% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 89.60% | 91.19% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 89.36% | 82.69% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.14% | 95.56% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 88.89% | 99.23% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 88.68% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 88.07% | 98.95% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 85.87% | 100.00% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 84.82% | 92.94% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 84.37% | 85.14% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.26% | 97.09% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 83.14% | 93.04% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 82.84% | 94.45% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 81.61% | 96.38% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.57% | 89.00% |
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.
| Isodon shikokianus |
| PubChem | 162952951 |
| LOTUS | LTS0086096 |
| wikiData | Q105258049 |