2,7a-dihydroxy-6-(hydroxymethyl)-3,6,7b-trimethyl-2,4a,5,7-tetrahydro-1H-cyclobuta[e]inden-4-one
| Internal ID | d62417d6-b21a-48e1-a962-e0e049a94483 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids > Illudanes and illudins |
| IUPAC Name | 2,7a-dihydroxy-6-(hydroxymethyl)-3,6,7b-trimethyl-2,4a,5,7-tetrahydro-1H-cyclobuta[e]inden-4-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C15H22O4/c1-8-11-10(17)5-14(11,3)15(19)6-13(2,7-16)4-9(15)12(8)18/h9-10,16-17,19H,4-7H2,1-3H3 |
| InChI Key | VIDYDIXHTSOELN-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C15H22O4 |
| Molecular Weight | 266.33 g/mol |
| Exact Mass | 266.15180918 g/mol |
| Topological Polar Surface Area (TPSA) | 77.80 Ų |
| XlogP | -0.20 |
| There are no found synonyms. |
![2D Structure of 2,7a-dihydroxy-6-(hydroxymethyl)-3,6,7b-trimethyl-2,4a,5,7-tetrahydro-1H-cyclobuta[e]inden-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/27a-dihydroxy-6-hydroxymethyl-367b-trimethyl-24a57-tetrahydro-1h-cyclobutaeinden-4-one.jpg "2D Structure of 2,7a-dihydroxy-6-(hydroxymethyl)-3,6,7b-trimethyl-2,4a,5,7-tetrahydro-1H-cyclobuta[e]inden-4-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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 89.84% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 88.71% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 85.58% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.32% | 95.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.70% | 97.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 84.55% | 97.25% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.77% | 100.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 82.61% | 94.45% |
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 | 163070234 |
| LOTUS | LTS0161693 |
| wikiData | Q105286776 |