(2S,3R,4S)-3-[(E)-2,6-dimethyl-5-oxohept-1-enyl]-4-ethenyl-4-methyl-2-prop-1-en-2-ylcyclopentan-1-one
| Internal ID | 32c7426e-7978-4266-8c45-2641b27a19a2 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids |
| IUPAC Name | (2S,3R,4S)-3-[(E)-2,6-dimethyl-5-oxohept-1-enyl]-4-ethenyl-4-methyl-2-prop-1-en-2-ylcyclopentan-1-one |
| SMILES (Canonical) | CC(C)C(=O)CCC(=CC1C(C(=O)CC1(C)C=C)C(=C)C)C |
| SMILES (Isomeric) | CC(C)C(=O)CC/C(=C/[C@@H]1[C@H](C(=O)C[C@@]1(C)C=C)C(=C)C)/C |
| InChI | InChI=1S/C20H30O2/c1-8-20(7)12-18(22)19(14(4)5)16(20)11-15(6)9-10-17(21)13(2)3/h8,11,13,16,19H,1,4,9-10,12H2,2-3,5-7H3/b15-11+/t16-,19-,20-/m1/s1 |
| InChI Key | AJYXFWSQBPIZLT-ZLXFIOOCSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H30O2 |
| Molecular Weight | 302.50 g/mol |
| Exact Mass | 302.224580195 g/mol |
| Topological Polar Surface Area (TPSA) | 34.10 Ų |
| XlogP | 4.90 |
| There are no found synonyms. |
![2D Structure of (2S,3R,4S)-3-[(E)-2,6-dimethyl-5-oxohept-1-enyl]-4-ethenyl-4-methyl-2-prop-1-en-2-ylcyclopentan-1-one](https://plantaedb.com/storage/docs/compounds/2023/11/ed474c70-8591-11ee-b32c-83a345ce03b7.jpg "2D Structure of (2S,3R,4S)-3-[(E)-2,6-dimethyl-5-oxohept-1-enyl]-4-ethenyl-4-methyl-2-prop-1-en-2-ylcyclopentan-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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 96.98% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.80% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.84% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.23% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.29% | 94.45% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 89.32% | 96.77% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 86.75% | 91.19% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 85.85% | 96.47% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.20% | 95.56% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 83.06% | 94.75% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 82.02% | 89.34% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 81.64% | 91.07% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 81.61% | 90.08% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.30% | 89.00% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 80.44% | 82.69% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.17% | 100.00% |
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.
| Odontoschisma denudatum |
| PubChem | 102121235 |
| LOTUS | LTS0127013 |
| wikiData | Q104913479 |