3,4-Dihydroxy-2-[[2-hydroxy-5-(7-hydroxy-6-methylhepta-2,5-dien-2-yl)-2-methylcyclopentyl]methyl]cyclohex-2-en-1-one
| Internal ID | 731e6bdf-c907-4693-93d7-f85b87697be6 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids |
| IUPAC Name | 3,4-dihydroxy-2-[[2-hydroxy-5-(7-hydroxy-6-methylhepta-2,5-dien-2-yl)-2-methylcyclopentyl]methyl]cyclohex-2-en-1-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C21H32O5/c1-13(12-22)5-4-6-14(2)15-9-10-21(3,26)17(15)11-16-18(23)7-8-19(24)20(16)25/h5-6,15,17,19,22,24-26H,4,7-12H2,1-3H3 |
| InChI Key | BCZAAGAISAGJPS-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C21H32O5 |
| Molecular Weight | 364.50 g/mol |
| Exact Mass | 364.22497412 g/mol |
| Topological Polar Surface Area (TPSA) | 98.00 Ų |
| XlogP | 1.80 |
| There are no found synonyms. |
![2D Structure of 3,4-Dihydroxy-2-[[2-hydroxy-5-(7-hydroxy-6-methylhepta-2,5-dien-2-yl)-2-methylcyclopentyl]methyl]cyclohex-2-en-1-one](https://plantaedb.com/storage/docs/compounds/2023/11/484d8e80-872b-11ee-9ef1-8ddd619e7bd1.jpg "2D Structure of 3,4-Dihydroxy-2-[[2-hydroxy-5-(7-hydroxy-6-methylhepta-2,5-dien-2-yl)-2-methylcyclopentyl]methyl]cyclohex-2-en-1-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 | 97.91% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.56% | 98.95% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 91.95% | 100.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.56% | 95.56% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 88.22% | 97.25% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.87% | 95.89% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 87.80% | 96.09% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 87.20% | 82.69% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 85.87% | 93.04% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 85.31% | 94.75% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 84.55% | 83.82% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.69% | 86.33% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 83.01% | 93.03% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 82.14% | 91.24% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 82.10% | 91.07% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.07% | 89.00% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 82.03% | 95.93% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 81.24% | 91.71% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 80.55% | 99.23% |
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 | 163064407 |
| LOTUS | LTS0078323 |
| wikiData | Q103816648 |