3,4-Dihydroxy-2-[[5-hydroxy-5-methyl-2-(6-methylhept-5-en-2-yl)cyclopent-2-en-1-yl]methyl]cyclohex-2-en-1-one
| Internal ID | d5b0899e-0aef-4f3f-befd-8d4a617cf365 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids |
| IUPAC Name | 3,4-dihydroxy-2-[[5-hydroxy-5-methyl-2-(6-methylhept-5-en-2-yl)cyclopent-2-en-1-yl]methyl]cyclohex-2-en-1-one |
| SMILES (Canonical) | CC(CCC=C(C)C)C1=CCC(C1CC2=C(C(CCC2=O)O)O)(C)O |
| SMILES (Isomeric) | CC(CCC=C(C)C)C1=CCC(C1CC2=C(C(CCC2=O)O)O)(C)O |
| InChI | InChI=1S/C21H32O4/c1-13(2)6-5-7-14(3)15-10-11-21(4,25)17(15)12-16-18(22)8-9-19(23)20(16)24/h6,10,14,17,19,23-25H,5,7-9,11-12H2,1-4H3 |
| InChI Key | SVUAWISCDNAMSM-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C21H32O4 |
| Molecular Weight | 348.50 g/mol |
| Exact Mass | 348.23005950 g/mol |
| Topological Polar Surface Area (TPSA) | 77.80 Ų |
| XlogP | 2.60 |
| 3,4-dihydroxy-2-[[5-hydroxy-5-methyl-2-(6-methylhept-5-en-2-yl)cyclopent-2-en-1-yl]methyl]cyclohex-2-en-1-one |
| 3,4-dihydroxy-2-{[5-hydroxy-5-methyl-2-(6-methylhept-5-en-2-yl)cyclopent-2-en-1-yl]methyl}cyclohex-2-en-1-one |
| Bicycloalternarene 3 |
| ACTG-toxin A |
| DTXSID30908646 |
| 2-Cyclohexen-1-one, 2-((2-(1,5-dimethyl-4-hexenyl)-5-hydroxy-5-methyl-2-cyclopenten-1-yl)methyl)-3,6-dihydroxy- |
![2D Structure of 3,4-Dihydroxy-2-[[5-hydroxy-5-methyl-2-(6-methylhept-5-en-2-yl)cyclopent-2-en-1-yl]methyl]cyclohex-2-en-1-one](https://plantaedb.com/storage/docs/compounds/2023/11/f6ecc980-860b-11ee-9788-1b1d619f1589.jpg "2D Structure of 3,4-Dihydroxy-2-[[5-hydroxy-5-methyl-2-(6-methylhept-5-en-2-yl)cyclopent-2-en-1-yl]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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 98.20% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.17% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.88% | 95.56% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 92.55% | 94.75% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.79% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.19% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 90.67% | 97.25% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 90.47% | 90.17% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 89.37% | 95.93% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 88.74% | 83.82% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 88.32% | 100.00% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 88.17% | 95.89% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 87.63% | 82.69% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.09% | 95.89% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.88% | 97.09% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 84.31% | 90.71% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 83.63% | 91.24% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 81.71% | 96.47% |
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 | 190621 |
| LOTUS | LTS0081044 |
| wikiData | Q77506779 |