1-hydroxy-3a,6,10-trimethyl-1-propan-2-yl-3,7,8,11,12,12a-hexahydro-2H-cyclopenta[11]annulen-4-one
| Internal ID | c755b1c4-a115-4649-9dab-487c200cb124 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Dolabellane and neodolabellane diterpenoids |
| IUPAC Name | 1-hydroxy-3a,6,10-trimethyl-1-propan-2-yl-3,7,8,11,12,12a-hexahydro-2H-cyclopenta[11]annulen-4-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C20H32O2/c1-14(2)20(22)12-11-19(5)17(20)10-9-15(3)7-6-8-16(4)13-18(19)21/h7,13-14,17,22H,6,8-12H2,1-5H3 |
| InChI Key | ZWOSBQCURPXOJS-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H32O2 |
| Molecular Weight | 304.50 g/mol |
| Exact Mass | 304.240230259 g/mol |
| Topological Polar Surface Area (TPSA) | 37.30 Ų |
| XlogP | 3.80 |
| There are no found synonyms. |
![2D Structure of 1-hydroxy-3a,6,10-trimethyl-1-propan-2-yl-3,7,8,11,12,12a-hexahydro-2H-cyclopenta[11]annulen-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/1-hydroxy-3a610-trimethyl-1-propan-2-yl-378111212a-hexahydro-2h-cyclopenta11annulen-4-one.jpg "2D Structure of 1-hydroxy-3a,6,10-trimethyl-1-propan-2-yl-3,7,8,11,12,12a-hexahydro-2H-cyclopenta[11]annulen-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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 97.32% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.41% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.22% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.56% | 95.56% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 88.76% | 100.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 85.33% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.42% | 97.09% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.55% | 89.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.38% | 95.89% |
| CHEMBL1871 | P10275 | Androgen Receptor | 81.46% | 96.43% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 81.36% | 94.45% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 81.10% | 93.99% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 80.71% | 93.03% |
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 | 85446134 |
| LOTUS | LTS0176001 |
| wikiData | Q105385082 |