3-Hydroxy-2-[[5-hydroxy-2-(7-hydroxy-6-methylhept-5-en-2-yl)-5-methylcyclopent-2-en-1-yl]methyl]-4-methoxycyclohex-2-en-1-one
| Internal ID | cce5e083-b304-4de9-95c6-f2c0b07a90f3 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids |
| IUPAC Name | 3-hydroxy-2-[[5-hydroxy-2-(7-hydroxy-6-methylhept-5-en-2-yl)-5-methylcyclopent-2-en-1-yl]methyl]-4-methoxycyclohex-2-en-1-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C22H34O5/c1-14(13-23)6-5-7-15(2)16-10-11-22(3,26)18(16)12-17-19(24)8-9-20(27-4)21(17)25/h6,10,15,18,20,23,25-26H,5,7-9,11-13H2,1-4H3 |
| InChI Key | LXUOZANJRFPUKV-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C22H34O5 |
| Molecular Weight | 378.50 g/mol |
| Exact Mass | 378.24062418 g/mol |
| Topological Polar Surface Area (TPSA) | 87.00 Ų |
| XlogP | 1.90 |
| There are no found synonyms. |
![2D Structure of 3-Hydroxy-2-[[5-hydroxy-2-(7-hydroxy-6-methylhept-5-en-2-yl)-5-methylcyclopent-2-en-1-yl]methyl]-4-methoxycyclohex-2-en-1-one](https://plantaedb.com/storage/docs/compounds/2023/11/a57b97e0-860e-11ee-90cf-131804329dfe.jpg "2D Structure of 3-Hydroxy-2-[[5-hydroxy-2-(7-hydroxy-6-methylhept-5-en-2-yl)-5-methylcyclopent-2-en-1-yl]methyl]-4-methoxycyclohex-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 | 99.08% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.47% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.71% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.31% | 95.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.91% | 94.45% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 93.02% | 94.75% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 88.98% | 94.08% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 88.59% | 82.69% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.95% | 97.09% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 86.21% | 83.82% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.17% | 95.89% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 85.78% | 100.00% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 85.74% | 93.99% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 84.66% | 95.89% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 84.28% | 99.17% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 83.64% | 92.62% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 83.36% | 100.00% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 83.22% | 91.19% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 82.74% | 90.08% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 82.10% | 92.94% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 81.87% | 95.71% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 80.43% | 96.47% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 80.42% | 91.71% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 80.31% | 92.88% |
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 | 163049777 |
| LOTUS | LTS0078142 |
| wikiData | Q104171436 |