Isodeoxyhelicobasidin
| Internal ID | b88cdd27-121f-4826-b27c-63b0baa3f252 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Monoterpenoids > Iridoids and derivatives |
| IUPAC Name | 2-[(1S)-2,2-dimethylcyclopentyl]-3-hydroxy-5-methylcyclohexa-2,5-diene-1,4-dione |
| SMILES (Canonical) | CC1=CC(=O)C(=C(C1=O)O)C2CCCC2(C)C |
| SMILES (Isomeric) | CC1=CC(=O)C(=C(C1=O)O)[C@H]2CCCC2(C)C |
| InChI | InChI=1S/C14H18O3/c1-8-7-10(15)11(13(17)12(8)16)9-5-4-6-14(9,2)3/h7,9,17H,4-6H2,1-3H3/t9-/m1/s1 |
| InChI Key | PYNDKAUJUZDUQF-SECBINFHSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C14H18O3 |
| Molecular Weight | 234.29 g/mol |
| Exact Mass | 234.125594432 g/mol |
| Topological Polar Surface Area (TPSA) | 54.40 Ų |
| XlogP | 2.90 |
| There are no found synonyms. |
| 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 |
|---|---|---|---|---|
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 96.64% | 94.75% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.71% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.35% | 95.56% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 90.32% | 92.94% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 89.43% | 93.40% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 89.27% | 99.23% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.15% | 94.45% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 87.12% | 97.25% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 86.91% | 93.03% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.59% | 95.89% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.81% | 97.09% |
| CHEMBL3038469 | P24941 | CDK2/Cyclin A | 84.95% | 91.38% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.43% | 100.00% |
| CHEMBL1871 | P10275 | Androgen Receptor | 83.88% | 96.43% |
| CHEMBL2581 | P07339 | Cathepsin D | 82.72% | 98.95% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 82.33% | 83.82% |
| CHEMBL3746 | P80365 | 11-beta-hydroxysteroid dehydrogenase 2 | 81.33% | 94.78% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 80.58% | 92.50% |
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.
| There are no matching plants. |
| PubChem | 139583815 |
| LOTUS | LTS0060552 |
| wikiData | Q75067822 |