(3R,3aE,6Z,9aS)-3-hydroxy-3,6,9,9-tetramethyl-1,2,8,9a-tetrahydrocyclopenta[8]annulen-5-one
| Internal ID | d45a2432-94b8-4c4e-b4a0-52dadbdb8aa9 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Alcohols and polyols > Tertiary alcohols |
| IUPAC Name | (3R,3aE,6Z,9aS)-3-hydroxy-3,6,9,9-tetramethyl-1,2,8,9a-tetrahydrocyclopenta[8]annulen-5-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C15H22O2/c1-10-5-7-14(2,3)11-6-8-15(4,17)12(11)9-13(10)16/h5,9,11,17H,6-8H2,1-4H3/b10-5-,12-9+/t11-,15-/m1/s1 |
| InChI Key | DALCJJKJCXNGKA-CDYQTWFESA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C15H22O2 |
| Molecular Weight | 234.33 g/mol |
| Exact Mass | 234.161979940 g/mol |
| Topological Polar Surface Area (TPSA) | 37.30 Ų |
| XlogP | 2.10 |
| (3R,3aE,6Z,9aS)-3-hydroxy-3,6,9,9-tetramethyl-1,2,8,9a-tetrahydrocyclopenta[8]annulen-5-one |
![2D Structure of (3R,3aE,6Z,9aS)-3-hydroxy-3,6,9,9-tetramethyl-1,2,8,9a-tetrahydrocyclopenta[8]annulen-5-one](https://plantaedb.com/storage/docs/compounds/2023/11/3r3ae6z9as-3-hydroxy-3699-tetramethyl-1289a-tetrahydrocyclopenta8annulen-5-one.jpg "2D Structure of (3R,3aE,6Z,9aS)-3-hydroxy-3,6,9,9-tetramethyl-1,2,8,9a-tetrahydrocyclopenta[8]annulen-5-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 | 96.24% | 97.25% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.40% | 95.56% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 90.64% | 91.11% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 90.58% | 94.75% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 89.73% | 100.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 87.65% | 96.09% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 85.63% | 93.99% |
| CHEMBL1871 | P10275 | Androgen Receptor | 85.52% | 96.43% |
| CHEMBL2581 | P07339 | Cathepsin D | 84.87% | 98.95% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 84.81% | 85.14% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.41% | 97.09% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 84.16% | 83.82% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 83.47% | 93.03% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.29% | 99.23% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 82.89% | 90.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.26% | 95.89% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 80.62% | 85.94% |
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.
| Heteroplexis microcephala |
| PubChem | 44179722 |
| LOTUS | LTS0178168 |
| wikiData | Q104973664 |