3b,6-dihydroxy-3,3a,5,5-tetramethyl-4,6-dihydro-3H-cyclopenta[a]pentalen-2-one
| Internal ID | 6c824bf8-e752-4983-87e9-1ffaea798091 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids > Triquinane sesquiterpenoids > Linear triquinanes |
| IUPAC Name | 3b,6-dihydroxy-3,3a,5,5-tetramethyl-4,6-dihydro-3H-cyclopenta[a]pentalen-2-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C15H20O3/c1-8-11(16)6-9-5-10-12(17)13(2,3)7-15(10,18)14(8,9)4/h5-6,8,12,17-18H,7H2,1-4H3 |
| InChI Key | XZUGRIKTANFBQL-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C15H20O3 |
| Molecular Weight | 248.32 g/mol |
| Exact Mass | 248.14124450 g/mol |
| Topological Polar Surface Area (TPSA) | 57.50 Ų |
| XlogP | 0.60 |
| There are no found synonyms. |
![2D Structure of 3b,6-dihydroxy-3,3a,5,5-tetramethyl-4,6-dihydro-3H-cyclopenta[a]pentalen-2-one](https://plantaedb.com/storage/docs/compounds/2023/11/3b6-dihydroxy-33a55-tetramethyl-46-dihydro-3h-cyclopentaapentalen-2-one.jpg "2D Structure of 3b,6-dihydroxy-3,3a,5,5-tetramethyl-4,6-dihydro-3H-cyclopenta[a]pentalen-2-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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.95% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.09% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.35% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.33% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 90.62% | 85.14% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.36% | 100.00% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 82.99% | 94.75% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.65% | 89.00% |
| CHEMBL4803 | P29474 | Nitric-oxide synthase, endothelial | 81.54% | 86.00% |
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.
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| There are no matching plants. |
| PubChem | 73836528 |
| LOTUS | LTS0211444 |
| wikiData | Q104201492 |