8,11-Dihydroxy-5,11,12-trimethyl-4-propan-2-yltricyclo[6.5.0.01,5]tridecan-13-one
| Internal ID | b5558d93-813d-49a7-a129-7ddb4febddcd |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Alcohols and polyols > Tertiary alcohols |
| IUPAC Name | 8,11-dihydroxy-5,11,12-trimethyl-4-propan-2-yltricyclo[6.5.0.01,5]tridecan-13-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C19H32O3/c1-12(2)14-6-7-19-15(20)13(3)17(5,21)9-11-18(19,22)10-8-16(14,19)4/h12-14,21-22H,6-11H2,1-5H3 |
| InChI Key | JDTYJLMSDVUDNO-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C19H32O3 |
| Molecular Weight | 308.50 g/mol |
| Exact Mass | 308.23514488 g/mol |
| Topological Polar Surface Area (TPSA) | 57.50 Ų |
| XlogP | 3.00 |
| There are no found synonyms. |
![2D Structure of 8,11-Dihydroxy-5,11,12-trimethyl-4-propan-2-yltricyclo[6.5.0.01,5]tridecan-13-one](https://plantaedb.com/storage/docs/compounds/2023/11/811-dihydroxy-51112-trimethyl-4-propan-2-yltricyclo650015tridecan-13-one.jpg "2D Structure of 8,11-Dihydroxy-5,11,12-trimethyl-4-propan-2-yltricyclo[6.5.0.01,5]tridecan-13-one")
| 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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 95.33% | 97.25% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.44% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.85% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.84% | 96.09% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 89.98% | 82.69% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 88.15% | 100.00% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 87.84% | 96.38% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.37% | 97.09% |
| CHEMBL1871 | P10275 | Androgen Receptor | 85.06% | 96.43% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 84.35% | 95.93% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 83.45% | 91.11% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 83.31% | 93.03% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 82.86% | 94.75% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 81.31% | 96.47% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 80.62% | 99.23% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 80.57% | 90.08% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.46% | 89.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.11% | 95.89% |
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.
| Azorella madreporica |
| PubChem | 162925624 |
| LOTUS | LTS0135974 |
| wikiData | Q105125753 |